8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C110H102N22O8 — CID 157362711

IUPAC8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cn(-c5ccccn5)cn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-n4cnc(-c5ccccn5)c4)ccc3c(=O)n2C1
InChIInChI=1S/2C22H21N5O.3C22H20N4O2/c1-22(2)9-8-20-25-17-11-15(6-7-16(17)21(28)27(20)13-22)18-12-26(14-24-18)19-5-3-4-10-23-19;1-22(2)9-8-20-25-18-11-15(6-7-16(18)21(28)27(20)13-22)26-12-19(24-14-26)17-5-3-4-10-23-17;2*1-22(2)9-8-20-24-18-11-14(6-7-15(18)21(27)26(20)13-22)17-12-19(28-25-17)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16/h2*3-7,10-12,14H,8-9,13H2,1-2H3;3*3-7,10-12H,8-9,13H2,1-2H3
InChIKeyBIVBYANUELYPIO-UHFFFAOYSA-N
MW1860.17 g/mol
LogP19.49
Rot. Bonds10

About 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 157362711) has the molecular formula C110H102N22O8 and a molecular weight of 1860.17 g/mol. Its IUPAC name is 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID157362711
Molecular FormulaC110H102N22O8
Molecular Weight1860.17 g/mol
Exact Mass1858.83
IUPAC Name8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cn(-c5ccccn5)cn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-n4cnc(-c5ccccn5)c4)ccc3c(=O)n2C1
InChIInChI=1S/2C22H21N5O.3C22H20N4O2/c1-22(2)9-8-20-25-17-11-15(6-7-16(17)21(28)27(20)13-22)18-12-26(14-24-18)19-5-3-4-10-23-19;1-22(2)9-8-20-25-18-11-15(6-7-16(18)21(28)27(20)13-22)26-12-19(24-14-26)17-5-3-4-10-23-17;2*1-22(2)9-8-20-24-18-11-14(6-7-15(18)21(27)26(20)13-22)17-12-19(28-25-17)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16/h2*3-7,10-12,14H,8-9,13H2,1-2H3;3*3-7,10-12H,8-9,13H2,1-2H3
InChIKeyBIVBYANUELYPIO-UHFFFAOYSA-N
XLogP19.49
TPSA352.63 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds10
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001860.17
LogP ≤ 519.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one with MolForge

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Launch Full Analysis

Related Compounds

2,4-Dimethyl-1,3-oxazole;bis(3,5-dimethyl-1,2-oxazole);3,6-dimethylpyridazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-isocyano-4-methylbenzene;2-isocyano-5-methylpyridine;1-methoxy-4-methylbenzene;2-methoxy-5-methylpyridine;3-methyl-5-phenyl-1,2-oxazole;4-methyl-2-phenyl-1,3-oxazole;2-methylpyrazine;3-methylpyridine;4-methylpyridine;5-methylpyrimidine;1-methyl-4-(trifluoromethyl)benzene;3-methyl-5-(trifluoromethyl)-1,2-oxazole;4-methyl-2-(trifluoromethyl)-1,3-oxazole;bis(5-methyl-3-(trifluoromethyl)-1,2-oxazole);3-methyl-6-(trifluoromethyl)pyridazine;5-methyl-2-(trifluoromethyl)pyridine;5-methyl-2-(trifluoromethyl)pyrimidine;toluene
CID 159376626
(5S)-7-[2-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(5-methyl-1,3-oxazol-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[4-(1-methyltriazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-[2-(trifluoromethyl)-4-pyridinyl]-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 161841959
3,3-Dimethyl-1-(oxetan-3-yl)-6-(4-pyridin-3-ylimidazol-1-yl)indol-2-one;1,3,3-trimethyl-6-(4-methyl-2-pyridin-3-yl-1,3-oxazol-5-yl)indol-2-one
CID 118526063
8-[3-[9-(4,6-Diphenyl-2-pyridinyl)-6-[8-[3-[3-[9-(2,6-diphenyl-4-pyridinyl)carbazol-2-yl]carbazol-9-yl]phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-5-yl]carbazol-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 129253534
2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 139533377
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 139545104
2-[4-(2,6-Diphenylpyrimidin-4-yl)-2,3,6-tris(pyrido[3,2-b]indol-5-yl)-5-pyrido[3,4-b]indol-9-ylphenyl]-1,3-benzoxazole
CID 139545402
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 139545568
2-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,4,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 150334189
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrakis(pyrido[2,3-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 150655581
2-[2-(4,6-Diphenylpyrimidin-2-yl)-3,4,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)phenyl]-1,3-benzoxazole
CID 151314767
2-[2-(4,6-Diphenyl-1,3,5-triazin-2-yl)-3,4,5,6-tetrakis(pyrido[3,4-b]indol-9-yl)phenyl]-1,3-benzoxazole
CID 151563103

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 157362711) is 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cc(-c5ccccn5)on4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4cn(-c5ccccn5)cn4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-c4ncc(-c5ccccn5)o4)ccc3c(=O)n2C1.CC1(C)CCc2nc3cc(-n4cnc(-c5ccccn5)c4)ccc3c(=O)n2C1.
What is the InChIKey of 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is BIVBYANUELYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N5O.3C22H20N4O2/c1-22(2)9-8-20-25-17-11-15(6-7-16(17)21(28)27(20)13-22)18-12-26(14-24-18)19-5-3-4-10-23-19;1-22(2)9-8-20-25-18-11-15(6-7-16(18)21(28)27(20)13-22)26-12-19(24-14-26)17-5-3-4-10-23-17;2*1-22(2)9-8-20-24-18-11-14(6-7-15(18)21(27)26(20)13-22)17-12-19(28-25-17)16-5-3-4-10-23-16;1-22(2)9-8-19-25-17-11-14(6-7-15(17)21(27)26(19)13-22)20-24-12-18(28-20)16-5-3-4-10-23-16/h2*3-7,10-12,14H,8-9,13H2,1-2H3;3*3-7,10-12H,8-9,13H2,1-2H3.
What are the key properties of 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 1860.17 g/mol, XLogP of 19.49, 10 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(1-pyridin-2-ylimidazol-4-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;8,8-dimethyl-3-(4-pyridin-2-ylimidazol-1-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;bis(8,8-dimethyl-3-(5-pyridin-2-yl-1,2-oxazol-3-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);8,8-dimethyl-3-(5-pyridin-2-yl-1,3-oxazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 157362711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).