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

C23H23N3O3 — CID 38762920

IUPAC4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c27-21-18-6-2-3-7-20(18)24-15-19(21)22(28)25-14-16-8-10-17(11-9-16)23(29)26-12-4-1-5-13-26/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,27)(H,25,28)
InChIKeyWDDJQLSFAFWQLM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.08
Rot. Bonds4

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

4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide (PubChem CID 38762920) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
PubChem CID38762920
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C23H23N3O3/c27-21-18-6-2-3-7-20(18)24-15-19(21)22(28)25-14-16-8-10-17(11-9-16)23(29)26-12-4-1-5-13-26/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,27)(H,25,28)
InChIKeyWDDJQLSFAFWQLM-UHFFFAOYSA-N
XLogP3.08
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 46655948
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
6-methyl-2-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyridine-3-carboxamide
CID 78895539
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
2-[(4-fluorophenyl)methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 24551331
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675
4-oxo-N-(2-oxo-2-piperazin-1-ylethyl)-1H-quinoline-3-carboxamide
CID 119403797
2-fluoro-N-[2-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]ethyl]benzamide
CID 18153747
N-[(4-chloro-3-methylphenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 154801359
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide (CID 38762920) is 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
The InChIKey is WDDJQLSFAFWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21-18-6-2-3-7-20(18)24-15-19(21)22(28)25-14-16-8-10-17(11-9-16)23(29)26-12-4-1-5-13-26/h2-3,6-11,15H,1,4-5,12-14H2,(H,24,27)(H,25,28).
What are the key properties of 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide?
4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 38762920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).