(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C17H17ClN2O — CID 61112430

IUPAC(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(N)cc1Cl)CCC2
InChIInChI=1S/C17H17ClN2O/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(19)10-15(14)18/h2,4-5,7-8,10H,3,6,9,19H2,1H3
InChIKeyIDVSUQSZXPZNFD-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.82
Rot. Bonds1

About (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 61112430) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID61112430
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1ccc(N)cc1Cl)CCC2
InChIInChI=1S/C17H17ClN2O/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(19)10-15(14)18/h2,4-5,7-8,10H,3,6,9,19H2,1H3
InChIKeyIDVSUQSZXPZNFD-UHFFFAOYSA-N
XLogP3.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
(2,4-dibromophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107951713
(4-bromo-2-chlorophenyl)-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63215264
(4-amino-1-ethylpyrrol-2-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61113186
(5-bromo-2-fluorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60704859
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133
(2-bromo-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103756393
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-chloro-4-fluorophenyl)methanone
CID 62266898
2,3-dihydro-1,4-benzodioxin-5-yl-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60596592

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 61112430) is (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1ccc(N)cc1Cl)CCC2.
What is the InChIKey of (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IDVSUQSZXPZNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-11-4-2-5-12-6-3-9-20(16(11)12)17(21)14-8-7-13(19)10-15(14)18/h2,4-5,7-8,10H,3,6,9,19H2,1H3.
What are the key properties of (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 300.79 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 61112430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).