N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

C17H22N2O2 — CID 110330998

IUPACN-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-12(2)9-10-18-16(20)8-7-14-11-13-5-3-4-6-15(13)19-17(14)21/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYSQJEIUSPOCAJR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.62
Rot. Bonds6

About N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide

N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110330998) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110330998
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
SMILESCC(C)CCNC(=O)CCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H22N2O2/c1-12(2)9-10-18-16(20)8-7-14-11-13-5-3-4-6-15(13)19-17(14)21/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYSQJEIUSPOCAJR-UHFFFAOYSA-N
XLogP2.62
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-oxo-1H-quinolin-3-yl)-N-(3-phenylpropyl)propanamide
CID 110330993
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174634
N-(2-morpholin-4-ylethyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 53174593
3-(3-methoxyphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110414837
N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390013
3-(2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331033
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 95103339
3-(benzenesulfonyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 110616746
4-(4-fluorophenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 110415150
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740
N-(2-cyanopropan-2-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110406225

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide (CID 110330998) is N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is CC(C)CCNC(=O)CCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is YSQJEIUSPOCAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(2)9-10-18-16(20)8-7-14-11-13-5-3-4-6-15(13)19-17(14)21/h3-6,11-12H,7-10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide?
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110330998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).