(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C17H16ClNO — CID 806851

IUPAC(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16ClNO/c1-12-8-9-14(11-15(12)18)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyIRBLUFCHDNOBFS-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.24
Rot. Bonds1

About (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 806851) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID806851
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl
InChIInChI=1S/C17H16ClNO/c1-12-8-9-14(11-15(12)18)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3
InChIKeyIRBLUFCHDNOBFS-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3-chloro-4-methylphenyl)-(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

3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451
(4-bromo-3-chlorophenyl)-(2,3-dihydroindol-1-yl)methanone
CID 80948923
2,3-dihydroindol-1-yl-(3-fluoro-4-methylphenyl)methanone
CID 17476941
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883
[4-(chloromethyl)phenyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43333292
3,4-dihydro-2H-quinolin-1-yl-[4-(1,1-dioxothiazinan-2-yl)-3-methylphenyl]methanone
CID 7685923

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 806851) is (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc(C(=O)N2CCCc3ccccc32)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IRBLUFCHDNOBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-8-9-14(11-15(12)18)17(20)19-10-4-6-13-5-2-3-7-16(13)19/h2-3,5,7-9,11H,4,6,10H2,1H3.
What are the key properties of (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 285.77 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 806851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).