N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

C18H24N2O2 — CID 110390013

IUPACN-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc2ccc(CCC(=O)NCCC(C)C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)8-9-19-17(21)7-5-14-4-6-15-10-13(3)18(22)20-16(15)11-14/h4,6,10-12H,5,7-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNDCNHFSSWRFDCE-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.93
Rot. Bonds6

About N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide

N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (PubChem CID 110390013) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
PubChem CID110390013
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
SMILESCc1cc2ccc(CCC(=O)NCCC(C)C)cc2[nH]c1=O
InChIInChI=1S/C18H24N2O2/c1-12(2)8-9-19-17(21)7-5-14-4-6-15-10-13(3)18(22)20-16(15)11-14/h4,6,10-12H,5,7-9H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyNDCNHFSSWRFDCE-UHFFFAOYSA-N
XLogP2.93
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389946
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389986
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-pentylpropanamide
CID 110390014
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110389997
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
3-(3-methyl-2-oxo-1H-quinolin-7-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110389980
N-(4-chlorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390035
N-(3-methylbutyl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110330998
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390056
3-(4-fluorophenyl)-N-(3-methylbutyl)propanamide
CID 56919846
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methylbutyl)propanamide
CID 110298971
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide (CID 110390013) is N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is Cc1cc2ccc(CCC(=O)NCCC(C)C)cc2[nH]c1=O.
What is the InChIKey of N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
The InChIKey is NDCNHFSSWRFDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)8-9-19-17(21)7-5-14-4-6-15-10-13(3)18(22)20-16(15)11-14/h4,6,10-12H,5,7-9H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide?
N-(3-methylbutyl)-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.93, 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-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide is sourced from PubChem (CID 110390013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).