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

C17H16ClNO2 — CID 110709489

IUPAC(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-21-16-10-11-19(15-9-5-3-7-13(15)16)17(20)12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3
InChIKeyTUMXQDOWSGJBFW-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.08
Rot. Bonds2

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

(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110709489) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110709489
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccccc2Cl)c2ccccc21
InChIInChI=1S/C17H16ClNO2/c1-21-16-10-11-19(15-9-5-3-7-13(15)16)17(20)12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3
InChIKeyTUMXQDOWSGJBFW-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709451
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-fluorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110709472
[4-(dimethylamino)phenyl]-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110741415
N-cyclohexyl-4-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110746959
2-(2-fluorophenyl)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709515
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
(2-bromophenyl)-(6-chloro-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636338
methyl 2-[1-(4-amino-2-chlorobenzoyl)-2,3,4,5-tetrahydro-1-benzazepin-5-yl]acetate
CID 15895924
2-(3-fluorophenoxy)-1-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110709524
2-chloro-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl]phenyl]benzamide
CID 10837161
(4-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114343065

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110709489) is (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COC1CCN(C(=O)c2ccccc2Cl)c2ccccc21.
What is the InChIKey of (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is TUMXQDOWSGJBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-16-10-11-19(15-9-5-3-7-13(15)16)17(20)12-6-2-4-8-14(12)18/h2-9,16H,10-11H2,1H3.
What are the key properties of (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 301.77 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110709489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).