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

C17H19N3O — CID 43449799

IUPAC7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2N)NC(=O)CC3)cc1
InChIInChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)10-19-16-8-13-6-7-17(21)20-15(13)9-14(16)18/h2-5,8-9,19H,6-7,10,18H2,1H3,(H,20,21)
InChIKeyRFBMMRKWLNKLCR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds3

About 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one

7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 43449799) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID43449799
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccc(CNc2cc3c(cc2N)NC(=O)CC3)cc1
InChIInChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)10-19-16-8-13-6-7-17(21)20-15(13)9-14(16)18/h2-5,8-9,19H,6-7,10,18H2,1H3,(H,20,21)
InChIKeyRFBMMRKWLNKLCR-UHFFFAOYSA-N
XLogP3.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-7-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 43723900
7-amino-6-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 106369694
7-amino-6-[(3-hydroxy-2-methylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 65034025
5-amino-6-[(4-ethylphenyl)methylamino]-1,3-dihydroindol-2-one
CID 106899271
2-[(7-amino-2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]-N-propan-2-ylacetamide
CID 43567820
6-amino-7-(2-methylpropylamino)-3,4-dihydro-1H-quinolin-2-one
CID 43455514
7-amino-6-[(4-hydroxyoxan-4-yl)methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 81133979
7-amino-6-(2-cyclopentylethylamino)-3,4-dihydro-1H-quinolin-2-one
CID 60920159
6-amino-7-[(3-methyl-2-propan-2-ylbutyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 102903606
7-amino-6-(5-bromo-2-methylanilino)-3,4-dihydro-1H-quinolin-2-one
CID 43805901
6-amino-7-[(2-methyl-3-methylsulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 63982484
2-[(6-amino-2-oxo-3,4-dihydro-1H-quinolin-7-yl)amino]-N-methylacetamide
CID 43383610

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one (CID 43449799) is 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is Cc1ccc(CNc2cc3c(cc2N)NC(=O)CC3)cc1.
What is the InChIKey of 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is RFBMMRKWLNKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-2-4-12(5-3-11)10-19-16-8-13-6-7-17(21)20-15(13)9-14(16)18/h2-5,8-9,19H,6-7,10,18H2,1H3,(H,20,21).
What are the key properties of 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one?
7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-[(4-methylphenyl)methylamino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 43449799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).