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

C16H14ClNO — CID 720112

IUPAC(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C16H14ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2
InChIKeySTOCUTDIKCJDJU-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.93
Rot. Bonds1

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

(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 720112) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID720112
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCc2ccccc21
InChIInChI=1S/C16H14ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2
InChIKeySTOCUTDIKCJDJU-UHFFFAOYSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Lorcainide
CID 42884
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
Lorcainide Hydrochloride
CID 6917855
2-Chloro-N-methyl-N-phenylbenzamide
CID 587357
SW-100
CID 130345472
Alilusem Potassium
CID 23684123
4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide
CID 142580447
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
4-(3-Chlorophenyl)piperazinyl 3-methylphenyl ketone
CID 4006554
4H-Isoquinoline-1,3-dione, 2-(3-chlorophenyl)-
CID 185484
1-(2-Fluorobenzoyl)-1,2,3,4-tetrahydroquinoline
CID 772045
1-(4-Chlorobenzoyl)-4-(4-chlorophenyl)piperazine
CID 897167

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 720112) is (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCc2ccccc21.
What is the InChIKey of (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is STOCUTDIKCJDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-9-7-13(8-10-14)16(19)18-11-3-5-12-4-1-2-6-15(12)18/h1-2,4,6-10H,3,5,11H2.
What are the key properties of (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 271.75 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 720112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).