N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C24H24N2O2 — CID 71940924

IUPACN-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H24N2O2/c27-22-12-11-18-13-14-26(17-21(18)15-22)24(28)25-16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,23,27H,13-14,16-17H2,(H,25,28)
InChIKeyADCJBRNTPQGEHI-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.29
Rot. Bonds4

About N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 71940924) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID71940924
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESO=C(NCC(c1ccccc1)c1ccccc1)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C24H24N2O2/c27-22-12-11-18-13-14-26(17-21(18)15-22)24(28)25-16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,23,27H,13-14,16-17H2,(H,25,28)
InChIKeyADCJBRNTPQGEHI-UHFFFAOYSA-N
XLogP4.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide with MolForge

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Related Compounds

4-[(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]-5-phenylpentanoic acid
CID 122027119
phenyl 7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 61327924
N-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96545898
3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 62852740
5-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 54876383
7-hydroxy-N-[1-(3-nitrophenyl)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 154774978
3-[(7-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]propanoic acid
CID 122018861
N-[2-[2-(dimethylamino)-2-oxoethyl]phenyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71886567
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide;sulfane
CID 162003399
N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 75415485
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
N-(1-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3722367

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 71940924) is N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is O=C(NCC(c1ccccc1)c1ccccc1)N1CCc2ccc(O)cc2C1.
What is the InChIKey of N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is ADCJBRNTPQGEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c27-22-12-11-18-13-14-26(17-21(18)15-22)24(28)25-16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,23,27H,13-14,16-17H2,(H,25,28).
What are the key properties of N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 71940924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).