N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide

C23H22N2O2 — CID 31882746

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccccc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O2/c26-22(25-14-12-18-6-2-4-8-21(18)16-25)11-13-24-23(27)20-10-9-17-5-1-3-7-19(17)15-20/h1-10,15H,11-14,16H2,(H,24,27)
InChIKeyTUQCIXIFGLDZOQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.54
Rot. Bonds4

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 31882746) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID31882746
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide
SMILESO=C(NCCC(=O)N1CCc2ccccc2C1)c1ccc2ccccc2c1
InChIInChI=1S/C23H22N2O2/c26-22(25-14-12-18-6-2-4-8-21(18)16-25)11-13-24-23(27)20-10-9-17-5-1-3-7-19(17)15-20/h1-10,15H,11-14,16H2,(H,24,27)
InChIKeyTUQCIXIFGLDZOQ-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-fluorobenzamide
CID 110371002
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-3,4-dimethoxybenzamide
CID 110371011
3-cyano-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]benzamide
CID 110371006
N-[3-[4-(3-methylbutyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55847751
N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
3-(tert-butylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 60851992
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
N-[3-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 78852451
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-[3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55660916
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide (CID 31882746) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide is O=C(NCCC(=O)N1CCc2ccccc2C1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is TUQCIXIFGLDZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c26-22(25-14-12-18-6-2-4-8-21(18)16-25)11-13-24-23(27)20-10-9-17-5-1-3-7-19(17)15-20/h1-10,15H,11-14,16H2,(H,24,27).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 31882746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).