N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C18H20N2O — CID 121225936

IUPACN,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19(2)18(21)20-13-12-14-8-6-7-11-16(14)17(20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3
InChIKeyNKLXRVMFLXUVJZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.32
Rot. Bonds1

About N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 121225936) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID121225936
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC NameN,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCN(C)C(=O)N1CCc2ccccc2C1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-19(2)18(21)20-13-12-14-8-6-7-11-16(14)17(20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3
InChIKeyNKLXRVMFLXUVJZ-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(1R)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164972542
[3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-methylamino]-1-bicyclo[1.1.1]pentanyl]-methylcarbamic acid
CID 156506201
(1S)-N,1-diphenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 135391620
2-methyl-1-(1-pyridin-4-yl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 110400609
1-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 21266277
2-[[(2R)-2-hydroxypropyl]amino]-1-[(1S)-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 25119164
[3-[[1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-methylamino]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 156506344
3-[[[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-methylamino]methyl]azetidine-1-carboxylic acid
CID 155390387
(3S)-3-amino-4-oxo-4-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 166251862
prop-2-enyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67145723
2-[2-oxo-2-(1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentanoic acid
CID 123677976

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 121225936) is N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CN(C)C(=O)N1CCc2ccccc2C1c1ccccc1.
What is the InChIKey of N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is NKLXRVMFLXUVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-19(2)18(21)20-13-12-14-8-6-7-11-16(14)17(20)15-9-4-3-5-10-15/h3-11,17H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 121225936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).