N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide

C19H22N2O3 — CID 16927232

IUPACN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C19H22N2O3/c1-13(2)9-10-21-16-7-6-15(12-14(16)5-8-18(21)22)20-19(23)17-4-3-11-24-17/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,20,23)
InChIKeyBUXHFLJYNKTELM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.86
Rot. Bonds5

About N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide

N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide (PubChem CID 16927232) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
PubChem CID16927232
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide
SMILESCC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21
InChIInChI=1S/C19H22N2O3/c1-13(2)9-10-21-16-7-6-15(12-14(16)5-8-18(21)22)20-19(23)17-4-3-11-24-17/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,20,23)
InChIKeyBUXHFLJYNKTELM-UHFFFAOYSA-N
XLogP3.86
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
3,5-dimethoxy-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927187
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-4-propan-2-yloxybenzamide
CID 16927194
3,4-difluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927256
1-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-3-(3-methylphenyl)urea
CID 30376939
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-oxochromene-3-carboxamide
CID 16927234
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-(4-phenylphenyl)acetamide
CID 121084335
N-(1-methyl-2,3-dihydroindol-5-yl)furan-2-carboxamide
CID 110729319
2-chloro-6-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzamide
CID 16927224
phenyl N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]carbamate
CID 16927201
1-(3,4-dichlorophenyl)-3-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]urea
CID 30376866
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-phenylethanesulfonamide
CID 16927652

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The IUPAC name of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide (CID 16927232) is N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide is CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21.
What is the InChIKey of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
The InChIKey is BUXHFLJYNKTELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)9-10-21-16-7-6-15(12-14(16)5-8-18(21)22)20-19(23)17-4-3-11-24-17/h3-4,6-7,11-13H,5,8-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide?
N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]furan-2-carboxamide is sourced from PubChem (CID 16927232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).