4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide

C24H20N6O3 — CID 145126624

IUPAC4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(=O)[nH]c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C24H20N6O3/c1-2-33-21-10-18(15-4-6-23(31)26-11-15)28-19-9-14(3-5-16(19)21)24(32)27-13-22-29-17-7-8-25-12-20(17)30-22/h3-12H,2,13H2,1H3,(H,26,31)(H,27,32)(H,29,30)
InChIKeyRLKLOTZBRXSOGP-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.19
Rot. Bonds6

About 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide

4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide (PubChem CID 145126624) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide
PubChem CID145126624
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(=O)[nH]c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
InChIInChI=1S/C24H20N6O3/c1-2-33-21-10-18(15-4-6-23(31)26-11-15)28-19-9-14(3-5-16(19)21)24(32)27-13-22-29-17-7-8-25-12-20(17)30-22/h3-12H,2,13H2,1H3,(H,26,31)(H,27,32)(H,29,30)
InChIKeyRLKLOTZBRXSOGP-UHFFFAOYSA-N
XLogP3.19
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-2-(4-fluorophenyl)-N-[[(1R,2R)-2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
CID 122424034
4-ethoxy-2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164673
4-ethoxy-2-(6-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431858
4-ethoxy-2-(3-methylphenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
CID 134164669
4-ethoxy-2-(1-methyl-2-oxo-4-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
CID 134164639
N-[2,2-difluoro-3-(1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-(4-fluorophenyl)quinoline-7-carboxamide
CID 122431668
4-ethoxy-2-(6-methyl-2-oxo-1H-pyridin-3-yl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
CID 146259096
2-cyclopropyl-4-ethoxy-N-[3-(1H-imidazol-2-yl)propyl]quinoline-7-carboxamide
CID 122423973
N-[3-(2,3-dihydro-1H-1,2,4-triazol-5-yl)propyl]-4-ethoxy-2-[3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 122431453
2,4-dichloro-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)benzamide
CID 117074975
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
4-ethoxy-2-(4-fluorophenyl)-N-[(3Z)-3-hydrazinylidene-4-iminopentyl]quinoline-7-carboxamide
CID 145126632

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide (CID 145126624) is 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(=O)[nH]c2)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide?
The InChIKey is RLKLOTZBRXSOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-2-33-21-10-18(15-4-6-23(31)26-11-15)28-19-9-14(3-5-16(19)21)24(32)27-13-22-29-17-7-8-25-12-20(17)30-22/h3-12H,2,13H2,1H3,(H,26,31)(H,27,32)(H,29,30).
What are the key properties of 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide?
4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-2-(6-oxo-1H-pyridin-3-yl)quinoline-7-carboxamide is sourced from PubChem (CID 145126624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).