(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone

C18H16ClNO3 — CID 10568385

IUPAC(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C(=O)c1ccccc1Cl)=NCC2
InChIInChI=1S/C18H16ClNO3/c1-22-15-9-11-7-8-20-17(13(11)10-16(15)23-2)18(21)12-5-3-4-6-14(12)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKKAXMVWYGSZHMV-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.59
Rot. Bonds4

About (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone

(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone (PubChem CID 10568385) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
PubChem CID10568385
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC Name(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone
SMILESCOc1cc2c(cc1OC)C(C(=O)c1ccccc1Cl)=NCC2
InChIInChI=1S/C18H16ClNO3/c1-22-15-9-11-7-8-20-17(13(11)10-16(15)23-2)18(21)12-5-3-4-6-14(12)19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKKAXMVWYGSZHMV-UHFFFAOYSA-N
XLogP3.59
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-hydroxy-6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)-(2-methoxyphenyl)methanone
CID 11025506
(7-hydroxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)-(3-hydroxyphenyl)methanone
CID 134868927
ethyl 6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinoline-1-carboxylate
CID 134869084
(2-bromo-3,4-dimethoxyphenyl)-(7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methanone
CID 10740711
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
bis(3,4-dihydroisoquinolin-1-yl)methanone
CID 174753154
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
1-[dimethoxy(phenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 101485543
benzyl N-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]carbamate
CID 11057351
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
CID 43339911

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone (CID 10568385) is (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone is COc1cc2c(cc1OC)C(C(=O)c1ccccc1Cl)=NCC2.
What is the InChIKey of (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
The InChIKey is KKAXMVWYGSZHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-22-15-9-11-7-8-20-17(13(11)10-16(15)23-2)18(21)12-5-3-4-6-14(12)19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone?
(2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone has a molecular weight of 329.78 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanone is sourced from PubChem (CID 10568385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).