2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C24H22N2O2 — CID 17438722

IUPAC2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c25-23(27)21-15-19-13-7-8-14-20(19)16-26(21)24(28)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2,(H2,25,27)
InChIKeyMARVAEXCMBIEGD-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 17438722) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID17438722
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22N2O2/c25-23(27)21-15-19-13-7-8-14-20(19)16-26(21)24(28)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2,(H2,25,27)
InChIKeyMARVAEXCMBIEGD-UHFFFAOYSA-N
XLogP3.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-diphenylacetyl)-6-hydroxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10318033
2-[(2R)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 54996246
(3R)-2-(2-aminopropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61159132
(3R)-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 59118666
2-(2,2-diphenylacetyl)-6-methoxy-5-phenylmethoxy-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 22402458
(3R)-2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 9462728
(3R)-2-(2-pyridin-4-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 94868095
2-(7-aminoheptanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 119689882
(3S)-2-tert-butyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 70166082
(3S)-2-[2-(azetidin-3-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895614
2-(3-methoxy-2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119195812
(3S)-2-(3-aminothiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 61150165

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 17438722) is 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is MARVAEXCMBIEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c25-23(27)21-15-19-13-7-8-14-20(19)16-26(21)24(28)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-14,21-22H,15-16H2,(H2,25,27).
What are the key properties of 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 17438722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).