N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

C27H23N5O5 — CID 55949083

IUPACN-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C27H23N5O5/c1-36-22-10-9-17(12-23(22)37-16-18-15-32-11-5-4-8-24(32)30-18)31-25(33)14-29-27(35)20-13-28-21-7-3-2-6-19(21)26(20)34/h2-13,15H,14,16H2,1H3,(H,28,34)(H,29,35)(H,31,33)
InChIKeyRBNQYGUMENFHBN-UHFFFAOYSA-N
MW497.51 g/mol
LogP3.13
Rot. Bonds8

About N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide

N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 55949083) has the molecular formula C27H23N5O5 and a molecular weight of 497.51 g/mol. Its IUPAC name is N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID55949083
Molecular FormulaC27H23N5O5
Molecular Weight497.51 g/mol
Exact Mass497.17
IUPAC NameN-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCOc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OCc1cn2ccccc2n1
InChIInChI=1S/C27H23N5O5/c1-36-22-10-9-17(12-23(22)37-16-18-15-32-11-5-4-8-24(32)30-18)31-25(33)14-29-27(35)20-13-28-21-7-3-2-6-19(21)26(20)34/h2-13,15H,14,16H2,1H3,(H,28,34)(H,29,35)(H,31,33)
InChIKeyRBNQYGUMENFHBN-UHFFFAOYSA-N
XLogP3.13
TPSA126.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-methylpropanamide
CID 119859743
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-2-pyrrolidin-2-ylacetamide
CID 119859777
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-methyl-1-benzofuran-2-carboxamide
CID 55949341
3-(furan-2-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55826214
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55949079
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
4-(difluoromethylsulfanyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 52668432
2-butyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55949084
N-[2-[(1-methylpyrazol-4-yl)amino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60508476
4-(difluoromethylsulfonyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]benzamide
CID 55950861
3-acetamido-3-(4-chlorophenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]propanamide
CID 55949718
1-(2,3-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55825518

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide (CID 55949083) is N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is COc1ccc(NC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)cc1OCc1cn2ccccc2n1.
What is the InChIKey of N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is RBNQYGUMENFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O5/c1-36-22-10-9-17(12-23(22)37-16-18-15-32-11-5-4-8-24(32)30-18)31-25(33)14-29-27(35)20-13-28-21-7-3-2-6-19(21)26(20)34/h2-13,15H,14,16H2,1H3,(H,28,34)(H,29,35)(H,31,33).
What are the key properties of N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 497.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyanilino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55949083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).