3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

C147H168N10O20S3 — CID 159442949

IUPAC3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1-c1ccco1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cccs1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cncnc1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1csc(C)n1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cscn1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COc1cc2c(cc1-c1ccco1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C25H29N3O3.C25H30N2O3S.C25H29NO4.C25H29NO3S.C24H28N2O3S.C23H23NO4/c1-16(2)22-8-18-9-25(31-7-5-6-30-4)21(19-12-26-15-27-13-19)10-20(18)23-11-24(29)17(3)14-28(22)23;1-15(2)22-9-18-10-25(30-8-6-7-29-5)20(21-14-31-17(4)26-21)11-19(18)23-12-24(28)16(3)13-27(22)23;1-16(2)21-11-18-12-25(30-10-6-8-28-4)20(24-7-5-9-29-24)13-19(18)22-14-23(27)17(3)15-26(21)22;1-16(2)21-11-18-12-24(29-9-6-8-28-4)20(25-7-5-10-30-25)13-19(18)22-14-23(27)17(3)15-26(21)22;1-15(2)21-8-17-9-24(29-7-5-6-28-4)19(20-13-30-14-25-20)10-18(17)22-11-23(27)16(3)12-26(21)22;1-13(2)19-9-15-8-17(22-6-5-7-28-22)23(27-4)10-16(15)20-11-21(26)18(14(3)25)12-24(19)20/h9-16,22H,5-8H2,1-4H3;10-15,22H,6-9H2,1-5H3;5,7,9,12-16,21H,6,8,10-11H2,1-4H3;5,7,10,12-16,21H,6,8-9,11H2,1-4H3;9-15,21H,5-8H2,1-4H3;5-8,10-13,19H,9H2,1-4H3
InChIKeyLSKASGRYAKHOKC-UHFFFAOYSA-N
MW2491.21 g/mol
LogP30.70
Rot. Bonds39

About 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 159442949) has the molecular formula C147H168N10O20S3 and a molecular weight of 2491.21 g/mol. Its IUPAC name is 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID159442949
Molecular FormulaC147H168N10O20S3
Molecular Weight2491.21 g/mol
Exact Mass2489.16
IUPAC Name3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1-c1ccco1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cccs1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cncnc1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1csc(C)n1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cscn1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COc1cc2c(cc1-c1ccco1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2
InChIInChI=1S/C25H29N3O3.C25H30N2O3S.C25H29NO4.C25H29NO3S.C24H28N2O3S.C23H23NO4/c1-16(2)22-8-18-9-25(31-7-5-6-30-4)21(19-12-26-15-27-13-19)10-20(18)23-11-24(29)17(3)14-28(22)23;1-15(2)22-9-18-10-25(30-8-6-7-29-5)20(21-14-31-17(4)26-21)11-19(18)23-12-24(28)16(3)13-27(22)23;1-16(2)21-11-18-12-25(30-10-6-8-28-4)20(24-7-5-9-29-24)13-19(18)22-14-23(27)17(3)15-26(21)22;1-16(2)21-11-18-12-24(29-9-6-8-28-4)20(25-7-5-10-30-25)13-19(18)22-14-23(27)17(3)15-26(21)22;1-15(2)21-8-17-9-24(29-7-5-6-28-4)19(20-13-30-14-25-20)10-18(17)22-11-23(27)16(3)12-26(21)22;1-13(2)19-9-15-8-17(22-6-5-7-28-22)23(27-4)10-16(15)20-11-21(26)18(14(3)25)12-24(19)20/h9-16,22H,5-8H2,1-4H3;10-15,22H,6-9H2,1-5H3;5,7,9,12-16,21H,6,8,10-11H2,1-4H3;5,7,10,12-16,21H,6,8-9,11H2,1-4H3;9-15,21H,5-8H2,1-4H3;5-8,10-13,19H,9H2,1-4H3
InChIKeyLSKASGRYAKHOKC-UHFFFAOYSA-N
XLogP30.70
TPSA328.44 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds39
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002491.21
LogP ≤ 530.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-Dibenzofuran-1-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 157313483
2-Dibenzofuran-1-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 157514823
10-(2-Aminopyrimidin-5-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(4-propan-2-yl-1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;methyl 9-(5-chlorofuran-2-yl)-3-methyl-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-10-carboxylate;3-methyl-9-phenylmethoxy-6-propan-2-yl-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 157705496
2-Dibenzofuran-1-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 158275417
2,4-Dimethoxy-6-methylpyrimidine;2,4-dimethylfuran;2,4-dimethylpyrimidine;2,5-dimethyl-1,3,4-thiadiazole;1-methoxy-2-methylbenzene;1-methoxy-3-methylbenzene;1-methoxy-4-methylbenzene;5-methoxy-2-methylpyrimidine;4-methyl-1-phenylpyrazole;2-methylpyridine;2-methyl-1,3-thiazole;1-phenylethanone;2,3,4-trimethylfuran;2,4,6-trimethylpyrimidine;1,2-xylene;1,3-xylene;1,4-xylene
CID 158347216
2-Dibenzofuran-1-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 158528327
3-acetyl-9-(5-cyclohexyl-1,3-thiazol-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(2-morpholin-4-yl-1,3-thiazol-5-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-[5-(oxan-4-yl)-1,3-thiazol-2-yl]-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenylfuran-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-9-(5-phenyl-1,3-thiazol-2-yl)-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one
CID 158822016
Cumene;ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylcyclopenta-1,3-diene;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;2-propan-2-ylfuran;3-propan-2-ylfuran;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158976178
2-Dibenzofuran-1-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine;4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 159101398
4-(furan-2-yl)-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;8-methyl-6H-pyrimido[1,2-c][1,3]benzoxazin-5-ium;8-methyl-6H-[1,3,5]triazino[1,2-c][1,3]benzoxazin-5-ium;4-pyridin-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium;4-thiophen-2-yl-6H-pyrido[1,2-c][1,3]benzoxazin-7-ium
CID 159535625
2-Cyclohexa-1,5-dien-1-yl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;methane;2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-4a,9b-dihydrodibenzofuran-4-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[6-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159773168
3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-(1,3-thiazol-2-yl)-7H-pyrido[2,1-a]phthalazin-2-one;3-acetyl-10-methoxy-6-propan-2-yl-9-thiophen-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;9-[1-(difluoromethyl)pyrazol-4-yl]-10-methoxy-3-methyl-6-propan-2-yl-7H-pyrido[2,1-a]phthalazin-2-one;10-methoxy-3-methyl-6-propan-2-yl-9-(1-propan-2-ylpyrazol-4-yl)-7H-pyrido[2,1-a]phthalazin-2-one
CID 159802096

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one (CID 159442949) is 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one is COCCCOc1cc2c(cc1-c1ccco1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cccs1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cncnc1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1csc(C)n1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COCCCOc1cc2c(cc1-c1cscn1)-c1cc(=O)c(C)cn1C(C(C)C)C2.COc1cc2c(cc1-c1ccco1)CC(C(C)C)n1cc(C(C)=O)c(=O)cc1-2.
What is the InChIKey of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is LSKASGRYAKHOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3.C25H30N2O3S.C25H29NO4.C25H29NO3S.C24H28N2O3S.C23H23NO4/c1-16(2)22-8-18-9-25(31-7-5-6-30-4)21(19-12-26-15-27-13-19)10-20(18)23-11-24(29)17(3)14-28(22)23;1-15(2)22-9-18-10-25(30-8-6-7-29-5)20(21-14-31-17(4)26-21)11-19(18)23-12-24(28)16(3)13-27(22)23;1-16(2)21-11-18-12-25(30-10-6-8-28-4)20(24-7-5-9-29-24)13-19(18)22-14-23(27)17(3)15-26(21)22;1-16(2)21-11-18-12-24(29-9-6-8-28-4)20(25-7-5-10-30-25)13-19(18)22-14-23(27)17(3)15-26(21)22;1-15(2)21-8-17-9-24(29-7-5-6-28-4)19(20-13-30-14-25-20)10-18(17)22-11-23(27)16(3)12-26(21)22;1-13(2)19-9-15-8-17(22-6-5-7-28-22)23(27-4)10-16(15)20-11-21(26)18(14(3)25)12-24(19)20/h9-16,22H,5-8H2,1-4H3;10-15,22H,6-9H2,1-5H3;5,7,9,12-16,21H,6,8,10-11H2,1-4H3;5,7,10,12-16,21H,6,8-9,11H2,1-4H3;9-15,21H,5-8H2,1-4H3;5-8,10-13,19H,9H2,1-4H3.
What are the key properties of 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?
3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 2491.21 g/mol, XLogP of 30.70, 39 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-9-(furan-2-yl)-10-methoxy-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;10-(furan-2-yl)-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-10-(2-methyl-1,3-thiazol-4-yl)-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-pyrimidin-5-yl-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-(1,3-thiazol-4-yl)-6,7-dihydrobenzo[a]quinolizin-2-one;9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-10-thiophen-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 159442949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).