N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide

C20H26N2O2 — CID 110390127

IUPACN-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NC3CCCCCC3)ccc2[nH]c1=O
InChIInChI=1S/C20H26N2O2/c1-14-12-16-13-15(8-10-18(16)22-20(14)24)9-11-19(23)21-17-6-4-2-3-5-7-17/h8,10,12-13,17H,2-7,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyIBPGWRJBCKBRKP-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.61
Rot. Bonds4

About N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide

N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (PubChem CID 110390127) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
PubChem CID110390127
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
SMILESCc1cc2cc(CCC(=O)NC3CCCCCC3)ccc2[nH]c1=O
InChIInChI=1S/C20H26N2O2/c1-14-12-16-13-15(8-10-18(16)22-20(14)24)9-11-19(23)21-17-6-4-2-3-5-7-17/h8,10,12-13,17H,2-7,9,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyIBPGWRJBCKBRKP-UHFFFAOYSA-N
XLogP3.61
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390059
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]cyclohexanecarboxamide
CID 110666063
N-(2,3-dimethylphenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390145
3-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 110390084
N-(3-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390165
N-cyclohexyl-3-(8-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331062
3-methyl-6-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110390077
N-(3-cyanophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390170
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-tert-butyl-3-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110390011
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The IUPAC name of N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide (CID 110390127) is N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is Cc1cc2cc(CCC(=O)NC3CCCCCC3)ccc2[nH]c1=O.
What is the InChIKey of N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
The InChIKey is IBPGWRJBCKBRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-12-16-13-15(8-10-18(16)22-20(14)24)9-11-19(23)21-17-6-4-2-3-5-7-17/h8,10,12-13,17H,2-7,9,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide?
N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide is sourced from PubChem (CID 110390127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).