3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one

C25H28N4O4 — CID 110223110

IUPAC3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one
SMILESCOc1ccc(OC)c2c(=O)c(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CCC34)c[nH]c12
InChIInChI=1S/C25H28N4O4/c1-14-26-12-15-6-9-19-25(2,23(15)28-14)10-5-11-29(19)24(31)16-13-27-21-18(33-4)8-7-17(32-3)20(21)22(16)30/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,27,30)/t19?,25-/m1/s1
InChIKeyADSGZBRQFBBPSH-OPEAARRCSA-N
MW448.52 g/mol
LogP3.15
Rot. Bonds3

About 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one

3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one (PubChem CID 110223110) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one
PubChem CID110223110
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one
SMILESCOc1ccc(OC)c2c(=O)c(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CCC34)c[nH]c12
InChIInChI=1S/C25H28N4O4/c1-14-26-12-15-6-9-19-25(2,23(15)28-14)10-5-11-29(19)24(31)16-13-27-21-18(33-4)8-7-17(32-3)20(21)22(16)30/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,27,30)/t19?,25-/m1/s1
InChIKeyADSGZBRQFBBPSH-OPEAARRCSA-N
XLogP3.15
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one with MolForge

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Related Compounds

[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110223102
1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
CID 110244839
5-amino-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid
CID 66487941
[(6aR,10aR)-10a-methyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-(1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 95803145
(7-methoxy-4-methyl-1H-indol-3-yl)-piperazin-1-ylmethanone
CID 96679890
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 163305444
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
CID 163313043
(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 163314951
(2-methoxy-4-pyridinyl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 163315799
4-methoxy-5-[4-(6-methyl-3-pyridinyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 138026932
3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
CID 155372601
(5-methyl-2-phenyl-1H-imidazol-4-yl)-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methanone
CID 135116258

Frequently Asked Questions

What is the IUPAC name of 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one?
The IUPAC name of 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one (CID 110223110) is 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one?
The canonical SMILES for 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one is COc1ccc(OC)c2c(=O)c(C(=O)N3CCC[C@@]4(C)c5nc(C)ncc5CCC34)c[nH]c12.
What is the InChIKey of 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one?
The InChIKey is ADSGZBRQFBBPSH-OPEAARRCSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-14-26-12-15-6-9-19-25(2,23(15)28-14)10-5-11-29(19)24(31)16-13-27-21-18(33-4)8-7-17(32-3)20(21)22(16)30/h7-8,12-13,19H,5-6,9-11H2,1-4H3,(H,27,30)/t19?,25-/m1/s1.
What are the key properties of 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one?
3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one has a molecular weight of 448.52 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazoline-7-carbonyl]-5,8-dimethoxy-1H-quinolin-4-one is sourced from PubChem (CID 110223110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).