1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C22H25N3O2 — CID 174943551

IUPAC1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1c2cc(C(=O)N3Cc4ccccc4C[C@H]3C)ccc2CCN1C(N)=O
InChIInChI=1S/C22H25N3O2/c1-14-11-17-5-3-4-6-19(17)13-25(14)21(26)18-8-7-16-9-10-24(22(23)27)15(2)20(16)12-18/h3-8,12,14-15H,9-11,13H2,1-2H3,(H2,23,27)/t14-,15?/m1/s1
InChIKeyLOSBWSSSXFLRIV-GICMACPYSA-N
MW363.46 g/mol
LogP3.27
Rot. Bonds1

About 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 174943551) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID174943551
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC1c2cc(C(=O)N3Cc4ccccc4C[C@H]3C)ccc2CCN1C(N)=O
InChIInChI=1S/C22H25N3O2/c1-14-11-17-5-3-4-6-19(17)13-25(14)21(26)18-8-7-16-9-10-24(22(23)27)15(2)20(16)12-18/h3-8,12,14-15H,9-11,13H2,1-2H3,(H2,23,27)/t14-,15?/m1/s1
InChIKeyLOSBWSSSXFLRIV-GICMACPYSA-N
XLogP3.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

(3-aminophenyl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 124612184
(3,4-dimethylphenyl)-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 59934246
[4-(aminomethyl)phenyl]-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 141381510
[4-(aminomethyl)phenyl]-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119320591
(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[3-(2H-tetrazol-5-ylmethyl)phenyl]methanone
CID 166312922
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-(3-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810834
(7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 86954667
furan-3-yl-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 53194905
(1-amino-2-cyclopropylpyridin-1-ium-4-yl)-[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 147262789
2-[2-(benzenesulfonyl)-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinolin-6-yl]-3,4,5-trimethylpyrrole-1-carboxamide
CID 175232648
2-(2,3-dimethylquinoxaline-6-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75511775
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 24810525

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 174943551) is 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC1c2cc(C(=O)N3Cc4ccccc4C[C@H]3C)ccc2CCN1C(N)=O.
What is the InChIKey of 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is LOSBWSSSXFLRIV-GICMACPYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-11-17-5-3-4-6-19(17)13-25(14)21(26)18-8-7-16-9-10-24(22(23)27)15(2)20(16)12-18/h3-8,12,14-15H,9-11,13H2,1-2H3,(H2,23,27)/t14-,15?/m1/s1.
What are the key properties of 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 363.46 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(3R)-3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 174943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).