4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide

C25H22N2O3 — CID 60553799

IUPAC4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C25H22N2O3/c28-24-21-8-4-5-9-23(21)26-15-22(24)25(29)27-14-18-10-12-20(13-11-18)17-30-16-19-6-2-1-3-7-19/h1-13,15H,14,16-17H2,(H,26,28)(H,27,29)
InChIKeyAJBCTWQTMUMQMR-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.17
Rot. Bonds7

About 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide

4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide (PubChem CID 60553799) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
PubChem CID60553799
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(COCc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C25H22N2O3/c28-24-21-8-4-5-9-23(21)26-15-22(24)25(29)27-14-18-10-12-20(13-11-18)17-30-16-19-6-2-1-3-7-19/h1-13,15H,14,16-17H2,(H,26,28)(H,27,29)
InChIKeyAJBCTWQTMUMQMR-UHFFFAOYSA-N
XLogP4.17
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 38762920
N-[2-[(4-cyanophenyl)methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60506475
5-[(4-fluorophenyl)methylcarbamoyl]-4-oxo-3-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 59600570
4-oxo-N-(3-phenylmethoxyphenyl)-1H-quinoline-3-carboxamide
CID 137464807
N-[(4-fluorophenyl)methyl]-6-(hydroxymethyl)-4-oxo-5-phenylmethoxy-1H-pyridine-3-carboxamide
CID 59600586
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765
N-[2-[[4-(dimethylsulfamoyl)phenyl]methylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55847321
N-[(4-cyanophenyl)methyl]-1H-indole-3-carboxamide
CID 60919239
N-[2-[2-(2-methylbenzoyl)hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55789378
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxo-1H-quinoline-3-carboxamide;hydrochloride
CID 18473146

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide (CID 60553799) is 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide is O=C(NCc1ccc(COCc2ccccc2)cc1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The InChIKey is AJBCTWQTMUMQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-24-21-8-4-5-9-23(21)26-15-22(24)25(29)27-14-18-10-12-20(13-11-18)17-30-16-19-6-2-1-3-7-19/h1-13,15H,14,16-17H2,(H,26,28)(H,27,29).
What are the key properties of 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 60553799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).