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

C20H22N2O4 — CID 54679555

IUPACN-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)CCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-13(2)9-10-22-16-8-4-3-7-15(16)18(23)17(20(22)25)19(24)21-12-14-6-5-11-26-14/h3-8,11,13,23H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyQQPCAPOZUFWNNW-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.28
Rot. Bonds6

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

N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54679555) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
PubChem CID54679555
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide
SMILESCC(C)CCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-13(2)9-10-22-16-8-4-3-7-15(16)18(23)17(20(22)25)19(24)21-12-14-6-5-11-26-14/h3-8,11,13,23H,9-10,12H2,1-2H3,(H,21,24)
InChIKeyQQPCAPOZUFWNNW-UHFFFAOYSA-N
XLogP3.28
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide (CID 54679555) is N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide is CC(C)CCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is QQPCAPOZUFWNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)9-10-22-16-8-4-3-7-15(16)18(23)17(20(22)25)19(24)21-12-14-6-5-11-26-14/h3-8,11,13,23H,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide?
N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-hydroxy-1-(3-methylbutyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54679555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).