N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

C20H22N2O4 — CID 54693587

IUPACN-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-2-3-6-11-22-16-10-5-4-9-15(16)18(23)17(20(22)25)19(24)21-13-14-8-7-12-26-14/h4-5,7-10,12,23H,2-3,6,11,13H2,1H3,(H,21,24)
InChIKeyNVUBLTIKSMIPOB-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.42
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide

N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54693587) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54693587
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21
InChIInChI=1S/C20H22N2O4/c1-2-3-6-11-22-16-10-5-4-9-15(16)18(23)17(20(22)25)19(24)21-13-14-8-7-12-26-14/h4-5,7-10,12,23H,2-3,6,11,13H2,1H3,(H,21,24)
InChIKeyNVUBLTIKSMIPOB-UHFFFAOYSA-N
XLogP3.42
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(Furan-2-carbonyl)-amino]-benzoic acid
CID 722854
2-(N-methylfuran-2-amido)benzoic acid
CID 792367
1-(furan-2-carbonyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 6463949
1-(furan-2-ylmethyl)-4-hydroxy-2-oxo-N-phenyl-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
CID 54679770
2-amino-N-(furan-2-ylmethyl)benzamide
CID 841269
N-(2-furylmethyl)-7-hydroxy-5-oxo-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamide
CID 54683810
Mls000758512
CID 332769
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 795870
N-[2-(piperidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 829463
Butyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 1903239
N-(furan-2-ylmethyl)-2-(4-methoxybenzamido)benzamide
CID 2265927
[2-(Methylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)benzoate
CID 2365479

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide (CID 54693587) is N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is NVUBLTIKSMIPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-2-3-6-11-22-16-10-5-4-9-15(16)18(23)17(20(22)25)19(24)21-13-14-8-7-12-26-14/h4-5,7-10,12,23H,2-3,6,11,13H2,1H3,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide?
N-(furan-2-ylmethyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.42, 7 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-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54693587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).