(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C23H23N3O3 — CID 40792766

IUPAC(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C23H23N3O3/c1-28-20-13-17-10-12-26(23(27)25-18-9-6-11-24-15-18)22(16-7-4-3-5-8-16)19(17)14-21(20)29-2/h3-9,11,13-15,22H,10,12H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeySSJDXKQZNFLUOG-JOCHJYFZSA-N
MW389.46 g/mol
LogP4.28
Rot. Bonds4

About (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 40792766) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID40792766
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccnc1)CC2
InChIInChI=1S/C23H23N3O3/c1-28-20-13-17-10-12-26(23(27)25-18-9-6-11-24-15-18)22(16-7-4-3-5-8-16)19(17)14-21(20)29-2/h3-9,11,13-15,22H,10,12H2,1-2H3,(H,25,27)/t22-/m1/s1
InChIKeySSJDXKQZNFLUOG-JOCHJYFZSA-N
XLogP4.28
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(1R)-6,7-dimethoxy-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27868961
(1R)-6,7-dimethoxy-N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92541937
(1R)-N-(2,4-dimethoxyphenyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772045
(1R)-6,7-dimethoxy-N-phenyl-1-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92772459
methyl 2-[(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]benzoate
CID 42691603
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
6,7-dimethoxy-1-phenyl-N-propyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 42599232
[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-methylsulfonylmethanone
CID 7045475
(1R)-N-(benzenesulfonyl)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 40836140
(2S)-2-[[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]-3-methylbutanoic acid
CID 8016370
1-(6,7-dimethoxy-1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 46967402
6,7-dimethoxy-N-phenyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110289330

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 40792766) is (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccnc1)CC2.
What is the InChIKey of (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is SSJDXKQZNFLUOG-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-28-20-13-17-10-12-26(23(27)25-18-9-6-11-24-15-18)22(16-7-4-3-5-8-16)19(17)14-21(20)29-2/h3-9,11,13-15,22H,10,12H2,1-2H3,(H,25,27)/t22-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
(1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-1-phenyl-N-pyridin-3-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 40792766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).