(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H20ClNO3 — CID 51289133

IUPAC(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3cccc(C)c32)cc(Cl)c1OC
InChIInChI=1S/C19H20ClNO3/c1-12-6-4-7-13-8-5-9-21(17(12)13)19(22)14-10-15(20)18(24-3)16(11-14)23-2/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyIWAPFOBYXCWKHW-UHFFFAOYSA-N
MW345.83 g/mol
LogP4.26
Rot. Bonds3

About (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 51289133) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID51289133
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1cc(C(=O)N2CCCc3cccc(C)c32)cc(Cl)c1OC
InChIInChI=1S/C19H20ClNO3/c1-12-6-4-7-13-8-5-9-21(17(12)13)19(22)14-10-15(20)18(24-3)16(11-14)23-2/h4,6-7,10-11H,5,8-9H2,1-3H3
InChIKeyIWAPFOBYXCWKHW-UHFFFAOYSA-N
XLogP4.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835683
(7-chloro-1,3-benzodioxol-5-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55600286
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
N-[2-[[1-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]ethyl]acetamide
CID 16764481
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55872122
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
(8-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 78843598
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
CID 55773243
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 51289133) is (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1cc(C(=O)N2CCCc3cccc(C)c32)cc(Cl)c1OC.
What is the InChIKey of (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IWAPFOBYXCWKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-12-6-4-7-13-8-5-9-21(17(12)13)19(22)14-10-15(20)18(24-3)16(11-14)23-2/h4,6-7,10-11H,5,8-9H2,1-3H3.
What are the key properties of (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 345.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 51289133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).