(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

C18H19NO3 — CID 780505

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-15(14)11-17(16)22-2)18(20)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyXNNRDJVSXKWPQK-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.90
Rot. Bonds3

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (PubChem CID 780505) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
PubChem CID780505
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1ccccc1)CC2
InChIInChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-15(14)11-17(16)22-2)18(20)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyXNNRDJVSXKWPQK-UHFFFAOYSA-N
XLogP2.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzamide
CID 38447933
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
methyl 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzoate
CID 55754615
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenecarbothioamide
CID 71898676
[4-(aminomethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119266159
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(methoxymethyl)phenyl]methanone
CID 38209435
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)fluoren-9-one
CID 42093802
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-phenoxy-4-pyridinyl)methanone
CID 56829222
(2-bromophenyl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1129388
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-quinoxalin-6-ylmethanone
CID 110690549

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone (CID 780505) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is COc1cc2c(cc1OC)CN(C(=O)c1ccccc1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
The InChIKey is XNNRDJVSXKWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-10-14-8-9-19(12-15(14)11-17(16)22-2)18(20)13-6-4-3-5-7-13/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone has a molecular weight of 297.35 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone is sourced from PubChem (CID 780505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).