1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

C22H24N2O4 — CID 54687870

IUPAC1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-3-4-13-24-17-11-7-6-10-16(17)20(25)19(22(24)27)21(26)23-14-15-9-5-8-12-18(15)28-2/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyKEKZSRROIZVKJM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.45
Rot. Bonds7

About 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide

1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (PubChem CID 54687870) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
PubChem CID54687870
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-3-4-13-24-17-11-7-6-10-16(17)20(25)19(22(24)27)21(26)23-14-15-9-5-8-12-18(15)28-2/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26)
InChIKeyKEKZSRROIZVKJM-UHFFFAOYSA-N
XLogP3.45
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-N-[(2-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54708137
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680132
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683270
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54706880
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide (CID 54687870) is 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)NCc2ccccc2OC)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is KEKZSRROIZVKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-4-13-24-17-11-7-6-10-16(17)20(25)19(22(24)27)21(26)23-14-15-9-5-8-12-18(15)28-2/h5-12,25H,3-4,13-14H2,1-2H3,(H,23,26).
What are the key properties of 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide?
1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 380.44 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54687870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).