2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

C22H23ClN4O — CID 26324066

IUPAC2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O/c23-21-6-2-1-5-20(21)22(28)25-19-8-7-17-9-14-26(16-18(17)15-19)11-4-13-27-12-3-10-24-27/h1-3,5-8,10,12,15H,4,9,11,13-14,16H2,(H,25,28)
InChIKeyKPSVVJGHIBPUEV-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.24
Rot. Bonds6

About 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide (PubChem CID 26324066) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
PubChem CID26324066
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
SMILESO=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)c1ccccc1Cl
InChIInChI=1S/C22H23ClN4O/c23-21-6-2-1-5-20(21)22(28)25-19-8-7-17-9-14-26(16-18(17)15-19)11-4-13-27-12-3-10-24-27/h1-3,5-8,10,12,15H,4,9,11,13-14,16H2,(H,25,28)
InChIKeyKPSVVJGHIBPUEV-UHFFFAOYSA-N
XLogP4.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide
CID 26396591
2-chloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930176
2-chloro-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)benzamide
CID 112506182
2-methoxy-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 18687364
N-(2-dodecyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70311573
2,5-dichloro-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)benzamide
CID 16942977
2-chloro-N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)benzamide
CID 27421932
2-chloro-N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]benzamide
CID 113013137
2,4-dichloro-N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16943511
N-[2-(1-ethylpyrazole-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-2-carboxamide
CID 72891891
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-ethoxybenzamide
CID 16943471

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide (CID 26324066) is 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide is O=C(Nc1ccc2c(c1)CN(CCCn1cccn1)CC2)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
The InChIKey is KPSVVJGHIBPUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-21-6-2-1-5-20(21)22(28)25-19-8-7-17-9-14-26(16-18(17)15-19)11-4-13-27-12-3-10-24-27/h1-3,5-8,10,12,15H,4,9,11,13-14,16H2,(H,25,28).
What are the key properties of 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide?
2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide has a molecular weight of 394.91 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-pyrazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide is sourced from PubChem (CID 26324066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).