(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide

C19H18N2O2 — CID 155140615

IUPAC(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESC=CC(=O)N1Cc2ccccc2[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H18N2O2/c1-2-18(22)21-12-14-8-6-7-11-16(14)17(13-21)19(23)20-15-9-4-3-5-10-15/h2-11,17H,1,12-13H2,(H,20,23)/t17-/m0/s1
InChIKeyUQSHPGWMADDDQS-KRWDZBQOSA-N
MW306.37 g/mol
LogP2.94
Rot. Bonds3

About (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide

(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide (PubChem CID 155140615) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide
PubChem CID155140615
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide
SMILESC=CC(=O)N1Cc2ccccc2[C@@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C19H18N2O2/c1-2-18(22)21-12-14-8-6-7-11-16(14)17(13-21)19(23)20-15-9-4-3-5-10-15/h2-11,17H,1,12-13H2,(H,20,23)/t17-/m0/s1
InChIKeyUQSHPGWMADDDQS-KRWDZBQOSA-N
XLogP2.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(4R)-4-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one;1-[(4S)-4-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164958928
1-(4-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 144832355
1-(4-propyl-3,4-dihydro-1H-isoquinolin-2-yl)prop-2-en-1-one
CID 123574710
N-(3-acetamidophenyl)-2-prop-2-enoyl-1,3-dihydroisoindole-1-carboxamide
CID 172889616
1-[(4R)-6-chloro-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 155140983
1-[(4S)-4,6-diphenyl-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 164785802
1-[(4S)-4-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 155140645
1-[(4R)-4-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 155140628
methyl 2-[(4-fluorophenyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylate
CID 167779185
N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
1-[(1S)-1-methyl-1,3-dihydroisoindol-2-yl]prop-2-en-1-one
CID 166406899
2-(2-methylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65263301

Frequently Asked Questions

What is the IUPAC name of (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The IUPAC name of (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide (CID 155140615) is (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide.
What is the SMILES notation for (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The canonical SMILES for (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide is C=CC(=O)N1Cc2ccccc2[C@@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
The InChIKey is UQSHPGWMADDDQS-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-2-18(22)21-12-14-8-6-7-11-16(14)17(13-21)19(23)20-15-9-4-3-5-10-15/h2-11,17H,1,12-13H2,(H,20,23)/t17-/m0/s1.
What are the key properties of (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide?
(4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-phenyl-2-prop-2-enoyl-3,4-dihydro-1H-isoquinoline-4-carboxamide is sourced from PubChem (CID 155140615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).