2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

C17H18N2O — CID 23333363

IUPAC2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c18-17(20)16-15-9-5-4-8-14(15)10-11-19(16)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H2,18,20)
InChIKeyQOSYQGCDUPQAPB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.27
Rot. Bonds3

About 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide

2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 23333363) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID23333363
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESNC(=O)C1c2ccccc2CCN1Cc1ccccc1
InChIInChI=1S/C17H18N2O/c18-17(20)16-15-9-5-4-8-14(15)10-11-19(16)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H2,18,20)
InChIKeyQOSYQGCDUPQAPB-UHFFFAOYSA-N
XLogP2.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232682
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
(1R)-2-(quinolin-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95980856
2-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173081049
2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173232418
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067481
2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 116995645
methyl 2-[[4-(acetamidomethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 166719002
2-[(5-bromo-3-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 104800326
furan-2-yl-[2-(furan-2-ylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanone
CID 162400386
(1S)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95303271

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 23333363) is 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is NC(=O)C1c2ccccc2CCN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is QOSYQGCDUPQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-17(20)16-15-9-5-4-8-14(15)10-11-19(16)12-13-6-2-1-3-7-13/h1-9,16H,10-12H2,(H2,18,20).
What are the key properties of 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide?
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 23333363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).