1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide

C23H23N3O5 — CID 5309406

IUPAC1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5/c1-25-17(12-15-20(25)14-8-6-7-9-16(14)26(2)23(15)28)22(27)24-13-10-18(29-3)21(31-5)19(11-13)30-4/h6-12H,1-5H3,(H,24,27)
InChIKeyGKMUNQBSDDBDID-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.31
Rot. Bonds5

About 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide

1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5309406) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5309406
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc(OC)c1OC
InChIInChI=1S/C23H23N3O5/c1-25-17(12-15-20(25)14-8-6-7-9-16(14)26(2)23(15)28)22(27)24-13-10-18(29-3)21(31-5)19(11-13)30-4/h6-12H,1-5H3,(H,24,27)
InChIKeyGKMUNQBSDDBDID-UHFFFAOYSA-N
XLogP3.31
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,4,5-Trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
CID 11856298
2-(3,4,5-Trimethoxyanilino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11853912
4-(6,6-Dimethyl-4-oxo-5,7-dihydroindol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
CID 44190573
N-[2-(3,4-Diethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-1H,4H,5H-pyrrolo[3,2-C]quinoline-2-carboxamide
CID 16008892
4,5,6-trimethoxy-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 4870182
2-(3,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-6-methyl-1-oxobenzo[b][1,6]naphthyridine-4-carboxamide
CID 11123392
4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
CID 11855209
6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide
CID 155518568
6-(3-hydroxy-4-methoxyphenyl)-N-methyl-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide
CID 155536350
2-methyl-N-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2117370
2-(3-acetyl-2-methyl-5-phenyl-1H-pyrrol-1-yl)-N-(3,5-dimethoxyphenyl)acetamide
CID 3461826
ethyl 1-{2-[(3,4-dimethoxyphenyl)amino]-2-oxoethyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 4117687

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide (CID 5309406) is 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide is COc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)cc(OC)c1OC.
What is the InChIKey of 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is GKMUNQBSDDBDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-25-17(12-15-20(25)14-8-6-7-9-16(14)26(2)23(15)28)22(27)24-13-10-18(29-3)21(31-5)19(11-13)30-4/h6-12H,1-5H3,(H,24,27).
What are the key properties of 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5309406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).