2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one

C23H22N2O3 — CID 42440770

IUPAC2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H22N2O3/c1-24-15-22(28-16-17-7-3-2-4-8-17)21(26)13-20(24)23(27)25-12-11-18-9-5-6-10-19(18)14-25/h2-10,13,15H,11-12,14,16H2,1H3
InChIKeyFRHGQFPIIOMNQN-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.16
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one

2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one (PubChem CID 42440770) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
PubChem CID42440770
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one
SMILESCn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C23H22N2O3/c1-24-15-22(28-16-17-7-3-2-4-8-17)21(26)13-20(24)23(27)25-12-11-18-9-5-6-10-19(18)14-25/h2-10,13,15H,11-12,14,16H2,1H3
InChIKeyFRHGQFPIIOMNQN-UHFFFAOYSA-N
XLogP3.16
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrrol-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 43642494
N-(3-methoxypropyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 52902398
5-[(4-chlorophenyl)methoxy]-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyran-4-one
CID 42227041
N-(2-methoxyphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054762
N-[(2-chlorophenyl)methyl]-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440806
benzyl 3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 15326864
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
(2,4-dihydroxy-6-phenylmethoxyphenyl)-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 166485894
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylmethoxyphenyl)methanone
CID 27515102
2-(aminomethyl)-1-methyl-5-phenylmethoxypyridin-4-one
CID 11172595
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 51054785
5-[(4-chlorophenyl)methoxy]-1-methyl-4-oxo-N-pyridin-2-ylpyridine-2-carboxamide
CID 52899896

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one (CID 42440770) is 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one is Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one?
The InChIKey is FRHGQFPIIOMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-24-15-22(28-16-17-7-3-2-4-8-17)21(26)13-20(24)23(27)25-12-11-18-9-5-6-10-19(18)14-25/h2-10,13,15H,11-12,14,16H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one?
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-5-phenylmethoxypyridin-4-one is sourced from PubChem (CID 42440770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).