3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

C22H22N4O3 — CID 71010257

IUPAC3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NCc2ccncc2)n(C)c2c1c(=O)n(C)c1ccc(C)cc21
InChIInChI=1S/C22H22N4O3/c1-13-5-6-16-15(11-13)18-17(22(28)25(16)2)20(29-4)19(26(18)3)21(27)24-12-14-7-9-23-10-8-14/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyATGUDDXWZQIRMB-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.67
Rot. Bonds4

About 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 71010257) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID71010257
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NCc2ccncc2)n(C)c2c1c(=O)n(C)c1ccc(C)cc21
InChIInChI=1S/C22H22N4O3/c1-13-5-6-16-15(11-13)18-17(22(28)25(16)2)20(29-4)19(26(18)3)21(27)24-12-14-7-9-23-10-8-14/h5-11H,12H2,1-4H3,(H,24,27)
InChIKeyATGUDDXWZQIRMB-UHFFFAOYSA-N
XLogP2.67
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)-6-methyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24717051
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
2-methoxy-3,5-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 110762827
1,4-dimethyl-N-[(4-methylphenyl)methyl]-2,3-dioxoquinoxaline-6-carboxamide
CID 6625310
6-methoxy-2-methyl-1-oxo-N-(pyridin-4-ylmethyl)isoquinoline-3-carboxamide
CID 172892804
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
1,4-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 110852155
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
6-(4-methoxy-3,5-dimethylphenyl)-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690200
5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-ylquinazoline-6-carboxamide
CID 71596288
2-(4-methoxy-2,3,5-trimethylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110769367
2-(4-fluorophenyl)-5-methoxy-3-methyl-N-[(4-methylphenyl)methyl]-4-oxoquinazoline-6-carboxamide
CID 71596286

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (CID 71010257) is 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)NCc2ccncc2)n(C)c2c1c(=O)n(C)c1ccc(C)cc21.
What is the InChIKey of 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is ATGUDDXWZQIRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-13-5-6-16-15(11-13)18-17(22(28)25(16)2)20(29-4)19(26(18)3)21(27)24-12-14-7-9-23-10-8-14/h5-11H,12H2,1-4H3,(H,24,27).
What are the key properties of 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,5,8-trimethyl-4-oxo-N-(pyridin-4-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 71010257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).