N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H22N2O — CID 24901535

IUPACN,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1
InChIInChI=1S/C19H22N2O/c1-13-9-10-16-17(14(13)2)11-21(19(22)20-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKeyVOXDEGVSXDWGHF-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.59
Rot. Bonds1

About N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 24901535) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID24901535
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCNC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1
InChIInChI=1S/C19H22N2O/c1-13-9-10-16-17(14(13)2)11-21(19(22)20-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22)
InChIKeyVOXDEGVSXDWGHF-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Vestipitant
CID 9832383
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 44140365
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(methylamino)piperidine-1-carboxamide
CID 53320128
2,7,8-Trimethyl-4-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 10220615
N-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3255338
4-(4-Methylphenyl)-3,4,5,6-tetrahydrobenzo[h]quinazolin-2-ol
CID 663869
4-Phenyl-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 4310916
2,8-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 9794964
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperazine-1-carboxamide
CID 9826304
7-ethyl-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline
CID 9837869

Frequently Asked Questions

What is the IUPAC name of N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 24901535) is N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CNC(=O)N1Cc2c(ccc(C)c2C)C(c2ccccc2)C1.
What is the InChIKey of N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is VOXDEGVSXDWGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-13-9-10-16-17(14(13)2)11-21(19(22)20-3)12-18(16)15-7-5-4-6-8-15/h4-10,18H,11-12H2,1-3H3,(H,20,22).
What are the key properties of N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,8-trimethyl-4-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 24901535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).