6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one

C18H26N2O — CID 65083527

IUPAC6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCC(Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)10-3-4-14(9-11-18)19-15-6-7-16-13(12-15)5-8-17(21)20-16/h6-7,12,14,19H,3-5,8-11H2,1-2H3,(H,20,21)
InChIKeyQLNCJHMBKMJHON-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.34
Rot. Bonds2

About 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one

6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 65083527) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID65083527
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC1(C)CCCC(Nc2ccc3c(c2)CCC(=O)N3)CC1
InChIInChI=1S/C18H26N2O/c1-18(2)10-3-4-14(9-11-18)19-15-6-7-16-13(12-15)5-8-17(21)20-16/h6-7,12,14,19H,3-5,8-11H2,1-2H3,(H,20,21)
InChIKeyQLNCJHMBKMJHON-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 43737988
6-[(3-aminocyclobutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 80560774
6-[(2,3-dimethylcyclohexyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 64760457
N-(4-iodophenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083964
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
4-[(4,4-dimethylcycloheptyl)amino]benzoic acid
CID 65083920
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
N-[4-(1H-imidazol-5-yl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65084298
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-chloro-5-[(4,4-dimethylcycloheptyl)amino]-1,3-dihydroindol-2-one
CID 65084091
6-(3-methylbutan-2-ylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737992
4,4-dimethyl-N-(4-propan-2-yloxyphenyl)cycloheptan-1-amine
CID 65084554

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 65083527) is 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC1(C)CCCC(Nc2ccc3c(c2)CCC(=O)N3)CC1.
What is the InChIKey of 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is QLNCJHMBKMJHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(2)10-3-4-14(9-11-18)19-15-6-7-16-13(12-15)5-8-17(21)20-16/h6-7,12,14,19H,3-5,8-11H2,1-2H3,(H,20,21).
What are the key properties of 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 286.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-dimethylcycloheptyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 65083527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).