3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide

C18H15ClN2O — CID 29372808

IUPAC3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C18H15ClN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3-1-2-14-12-20-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,21,22)
InChIKeyQYRNGWCQDWNOSH-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.46
Rot. Bonds4

About 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide

3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide (PubChem CID 29372808) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
PubChem CID29372808
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1cccc2cnccc12
InChIInChI=1S/C18H15ClN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3-1-2-14-12-20-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,21,22)
InChIKeyQYRNGWCQDWNOSH-UHFFFAOYSA-N
XLogP4.46
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
1-[(3-chloro-4-fluorophenyl)methyl]-3-isoquinolin-5-ylurea
CID 11255965
1-[2-(2,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
CID 10406200
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
CID 54928661
2-(3,4-dichlorophenyl)ethanamine;1-[2-(3,4-dichlorophenyl)ethyl]-3-isoquinolin-5-ylurea
CID 159630910
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide (CID 29372808) is 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide is O=C(CCc1ccc(Cl)cc1)Nc1cccc2cnccc12.
What is the InChIKey of 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide?
The InChIKey is QYRNGWCQDWNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-15-7-4-13(5-8-15)6-9-18(22)21-17-3-1-2-14-12-20-11-10-16(14)17/h1-5,7-8,10-12H,6,9H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide?
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide has a molecular weight of 310.78 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide is sourced from PubChem (CID 29372808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).