N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C21H22N2O3 — CID 54687815

IUPACN-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
InChIKeySUHCRFALJQHHDW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.44
Rot. Bonds6

About N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54687815) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54687815
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
InChIKeySUHCRFALJQHHDW-UHFFFAOYSA-N
XLogP3.44
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 54687870
1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680132
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54687815) is N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)NCc2ccccc2)c(O)c2ccccc21.
What is the InChIKey of N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is SUHCRFALJQHHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25).
What are the key properties of N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54687815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).