2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide

C22H18ClN3O2 — CID 25497443

IUPAC2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C22H18ClN3O2/c1-14(27)26-12-10-15-5-2-3-6-16(15)20(26)13-21(28)25-19-9-8-18(23)17-7-4-11-24-22(17)19/h2-12,20H,13H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyDKJTZIQWSDSNIZ-FQEVSTJZSA-N
MW391.86 g/mol
LogP4.79
Rot. Bonds3

About 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide

2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide (PubChem CID 25497443) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide
PubChem CID25497443
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide
SMILESCC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C22H18ClN3O2/c1-14(27)26-12-10-15-5-2-3-6-16(15)20(26)13-21(28)25-19-9-8-18(23)17-7-4-11-24-22(17)19/h2-12,20H,13H2,1H3,(H,25,28)/t20-/m0/s1
InChIKeyDKJTZIQWSDSNIZ-FQEVSTJZSA-N
XLogP4.79
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-acetyl-1H-isoquinolin-1-yl)-N-(2,3-dichlorophenyl)acetamide
CID 51229591
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 8872295
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,2-dihydroacenaphthylen-5-yl)acetamide
CID 34575285
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9073401
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-methyl-4-phenylphenyl)acetamide
CID 51938055
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3-pyrimidin-2-yloxyphenyl)acetamide
CID 51938187
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 94822682
2-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-N-benzylbenzamide
CID 43052968
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370303
2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1H-indazol-7-yl)acetamide
CID 34202769
2-(2-acetyl-1H-isoquinolin-1-yl)-N'-[2-(4-chlorophenyl)acetyl]acetohydrazide
CID 51238688
4-[[2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]acetyl]amino]benzamide
CID 26009427

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide?
The IUPAC name of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide (CID 25497443) is 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide.
What is the SMILES notation for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide?
The canonical SMILES for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide is CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide?
The InChIKey is DKJTZIQWSDSNIZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14(27)26-12-10-15-5-2-3-6-16(15)20(26)13-21(28)25-19-9-8-18(23)17-7-4-11-24-22(17)19/h2-12,20H,13H2,1H3,(H,25,28)/t20-/m0/s1.
What are the key properties of 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide?
2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide has a molecular weight of 391.86 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(5-chloroquinolin-8-yl)acetamide is sourced from PubChem (CID 25497443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).