1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide

C19H20N2O4 — CID 54680132

IUPAC1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C19H20N2O4/c1-2-3-10-21-15-9-5-4-8-14(15)17(22)16(19(21)24)18(23)20-12-13-7-6-11-25-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23)
InChIKeyJKEDCCVFCRFVSK-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.03
Rot. Bonds6

About 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide

1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54680132) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54680132
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C19H20N2O4/c1-2-3-10-21-15-9-5-4-8-14(15)17(22)16(19(21)24)18(23)20-12-13-7-6-11-25-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23)
InChIKeyJKEDCCVFCRFVSK-UHFFFAOYSA-N
XLogP3.03
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
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
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54706310
3-acetyl-4-hydroxy-1-propylquinolin-2-one
CID 54711259
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-[2-(dimethylamino)ethyl]-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54688406
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 54687736
1-butyl-4-hydroxy-3-(3-phenylprop-2-enoyl)quinolin-2-one
CID 54711057
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54680132) is 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is JKEDCCVFCRFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-2-3-10-21-15-9-5-4-8-14(15)17(22)16(19(21)24)18(23)20-12-13-7-6-11-25-13/h4-9,11,22H,2-3,10,12H2,1H3,(H,20,23).
What are the key properties of 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(furan-2-ylmethyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54680132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).