2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide

C18H18N2O — CID 91269199

IUPAC2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide
SMILESNC(=O)C1=CN(CCc2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H18N2O/c19-18(21)17-13-20(11-10-14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)17/h1-9,13H,10-12H2,(H2,19,21)
InChIKeyFYMBZSSACZEOLX-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.57
Rot. Bonds4

About 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide

2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide (PubChem CID 91269199) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide
PubChem CID91269199
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide
SMILESNC(=O)C1=CN(CCc2ccccc2)Cc2ccccc21
InChIInChI=1S/C18H18N2O/c19-18(21)17-13-20(11-10-14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)17/h1-9,13H,10-12H2,(H2,19,21)
InChIKeyFYMBZSSACZEOLX-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile
CID 230488
N-methyl-N-(2-{1-[(2-methylphenyl)methyl]piperidin-4-yl}ethyl)benzamide hydrochloride
CID 14553615
N-benzyl-N,2-dimethylbenzamide
CID 779170
2-methyl-N-(2-methylbenzyl)benzamide
CID 881366
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-methylbenzamide
CID 14783862
N-Benzyl-N-ethyl-2-methylbenzamide
CID 576969
4-phenylisoquinolin-1(2H)-one
CID 12407724
3-(aminomethyl)-2-isobutyl-4-phenylisoquinolin-1(2H)-one
CID 22175639
4-(3,4-Dihydro-1H-isoquinolin-2-ylmethyl)-benzamide
CID 752263
2-methyl-4-phenyl-1(2H)-isoquinolinone
CID 3499770
1-[2-(2-Phenylethyl)benzoyl]-4-piperidinecarboxamide
CID 2231676
1-(2-Biphenylylcarbonyl)piperidine
CID 976274

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide?
The IUPAC name of 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide (CID 91269199) is 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide?
The canonical SMILES for 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide is NC(=O)C1=CN(CCc2ccccc2)Cc2ccccc21.
What is the InChIKey of 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide?
The InChIKey is FYMBZSSACZEOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c19-18(21)17-13-20(11-10-14-6-2-1-3-7-14)12-15-8-4-5-9-16(15)17/h1-9,13H,10-12H2,(H2,19,21).
What are the key properties of 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide?
2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1H-isoquinoline-4-carboxamide is sourced from PubChem (CID 91269199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).