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

C15H23N3O — CID 115205137

IUPAC6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)CCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,16)8-3-9-17-12-5-6-13-11(10-12)4-7-14(19)18-13/h5-6,10,17H,3-4,7-9,16H2,1-2H3,(H,18,19)
InChIKeyPKFFTBQSLORGRH-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.50
Rot. Bonds5

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

6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115205137) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115205137
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)(N)CCCNc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-15(2,16)8-3-9-17-12-5-6-13-11(10-12)4-7-14(19)18-13/h5-6,10,17H,3-4,7-9,16H2,1-2H3,(H,18,19)
InChIKeyPKFFTBQSLORGRH-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431
6-(3-methylbutylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43737958
tert-butyl N-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propyl]carbamate
CID 103821832
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
tert-butyl N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]ethyl]carbamate
CID 103817909
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
ethane;6-(methylamino)-3,4-dihydro-1H-quinolin-2-one
CID 142404052
6-(cyclopropylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43738023
6-(2,3-diaminopropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 115119383
N,N-dimethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetamide
CID 82498512
6-(cyclopentylmethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 62071402
6-(3-amino-1,1-difluoropropyl)-3,4-dihydro-1H-quinolin-2-one
CID 116838540

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 115205137) is 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)(N)CCCNc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PKFFTBQSLORGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,16)8-3-9-17-12-5-6-13-11(10-12)4-7-14(19)18-13/h5-6,10,17H,3-4,7-9,16H2,1-2H3,(H,18,19).
What are the key properties of 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-4-methylpentyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115205137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).