(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

C18H20N2O2 — CID 174957818

IUPAC(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccc(O)cc2CN1CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-18(22)17-11-14-6-7-16(21)10-15(14)12-20(17)9-8-13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2,(H2,19,22)/t17-/m1/s1
InChIKeyLTQFEGLHDSGABU-QGZVFWFLSA-N
MW296.37 g/mol
LogP1.85
Rot. Bonds4

About (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 174957818) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID174957818
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)[C@H]1Cc2ccc(O)cc2CN1CCc1ccccc1
InChIInChI=1S/C18H20N2O2/c19-18(22)17-11-14-6-7-16(21)10-15(14)12-20(17)9-8-13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2,(H2,19,22)/t17-/m1/s1
InChIKeyLTQFEGLHDSGABU-QGZVFWFLSA-N
XLogP1.85
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

Tyrosyl-1,2,3,4-tetrahydro-3-isoquinolinecarbonyl-phenylalanyl-phenylalanine
CID 644210
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
Jdtic
CID 9956146
TIPPpsi
CID 5311481
H-Dmt-Tic-Gly-NH-Bzl
CID 10864183
H-Dmt-Tic-Glu-NH2
CID 11156202
H-2',6'-dimethyltyrosine-Tic-OH
CID 15384271
H-Dmt-Tic-Glu-NH-(CH2)5-NH2
CID 44421433
AT-076
CID 91938095
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
(S)-2-amino-N-((S)-2-(2-(benzylamino)-2-oxoethyl)-3-oxo-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 11664525
Tyr-(S)-Aba-Gly-Phe-NH2
CID 24755070

Frequently Asked Questions

What is the IUPAC name of (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 174957818) is (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)[C@H]1Cc2ccc(O)cc2CN1CCc1ccccc1.
What is the InChIKey of (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is LTQFEGLHDSGABU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N2O2/c19-18(22)17-11-14-6-7-16(21)10-15(14)12-20(17)9-8-13-4-2-1-3-5-13/h1-7,10,17,21H,8-9,11-12H2,(H2,19,22)/t17-/m1/s1.
What are the key properties of (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide?
(3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 174957818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).