3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one

C23H22N2O4 — CID 110649182

IUPAC3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccccc3)cc[nH]c1=O)CC2
InChIInChI=1S/C23H22N2O4/c1-28-19-12-16-9-11-25(14-17(16)13-20(19)29-2)23(27)21-18(8-10-24-22(21)26)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,24,26)
InChIKeyNAPMNJFKPGRWAN-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.26
Rot. Bonds4

About 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one (PubChem CID 110649182) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
PubChem CID110649182
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccccc3)cc[nH]c1=O)CC2
InChIInChI=1S/C23H22N2O4/c1-28-19-12-16-9-11-25(14-17(16)13-20(19)29-2)23(27)21-18(8-10-24-22(21)26)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,24,26)
InChIKeyNAPMNJFKPGRWAN-UHFFFAOYSA-N
XLogP3.26
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
(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)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(1H-indol-2-yl)methanone
CID 27515136
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 84544905
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)-(4-phenylthiadiazol-5-yl)methanone
CID 51048790
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-morpholin-4-yl-4-phenylthiophen-2-yl)methanone
CID 27515240
phenyl 6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 110756222
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 38211021

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one (CID 110649182) is 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one is COc1cc2c(cc1OC)CN(C(=O)c1c(-c3ccccc3)cc[nH]c1=O)CC2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one?
The InChIKey is NAPMNJFKPGRWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-28-19-12-16-9-11-25(14-17(16)13-20(19)29-2)23(27)21-18(8-10-24-22(21)26)15-6-4-3-5-7-15/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,24,26).
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one?
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one has a molecular weight of 390.44 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 110649182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).