2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide

C22H23ClN2O2 — CID 51317725

IUPAC2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CC1c2ccccc2C=CN1C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-3-20(17-8-10-18(23)11-9-17)24-22(27)14-21-19-7-5-4-6-16(19)12-13-25(21)15(2)26/h4-13,20-21H,3,14H2,1-2H3,(H,24,27)
InChIKeyVCHYGYVDWXUXAS-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.87
Rot. Bonds5

About 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide

2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide (PubChem CID 51317725) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
PubChem CID51317725
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide
SMILESCCC(NC(=O)CC1c2ccccc2C=CN1C(C)=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O2/c1-3-20(17-8-10-18(23)11-9-17)24-22(27)14-21-19-7-5-4-6-16(19)12-13-25(21)15(2)26/h4-13,20-21H,3,14H2,1-2H3,(H,24,27)
InChIKeyVCHYGYVDWXUXAS-UHFFFAOYSA-N
XLogP4.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[(S)-(4-bromophenyl)-phenylmethyl]acetamide
CID 52909428
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-ethoxyphenyl)ethyl]acetamide
CID 51292807
N'-[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]-3-chlorobenzohydrazide
CID 9086679
methyl 3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-3-(3-bromophenyl)propanoate
CID 60568736
N'-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-2-hydroxybenzohydrazide
CID 18109177
2-amino-N-[1-(4-chlorophenyl)propyl]-2-methylpropanamide
CID 61265406
[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 2-(2-acetyl-1H-isoquinolin-1-yl)acetate
CID 78903839
2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 42924303
(3S)-3-amino-N-[(1S)-1-(4-chlorophenyl)propyl]-3-phenylpropanamide
CID 124684118
1-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-1-methyl-3-(2-methylpropyl)thiourea
CID 43033635
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methyl-4-phenylphenyl)acetamide
CID 51938055
3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide?
The IUPAC name of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide (CID 51317725) is 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide.
What is the SMILES notation for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide?
The canonical SMILES for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide is CCC(NC(=O)CC1c2ccccc2C=CN1C(C)=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide?
The InChIKey is VCHYGYVDWXUXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c1-3-20(17-8-10-18(23)11-9-17)24-22(27)14-21-19-7-5-4-6-16(19)12-13-25(21)15(2)26/h4-13,20-21H,3,14H2,1-2H3,(H,24,27).
What are the key properties of 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide?
2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide has a molecular weight of 382.89 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[1-(4-chlorophenyl)propyl]acetamide is sourced from PubChem (CID 51317725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).