4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one

C21H17ClN2O2 — CID 154491155

IUPAC4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(=O)n(C)c2c1c1ccccc1n2C
InChIInChI=1S/C21H17ClN2O2/c1-12(25)17-18(13-8-10-14(22)11-9-13)21(26)24(3)20-19(17)15-6-4-5-7-16(15)23(20)2/h4-11H,1-3H3
InChIKeyOBYKNYKMOCJYAP-UHFFFAOYSA-N
MW364.83 g/mol
LogP4.55
Rot. Bonds2

About 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one

4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one (PubChem CID 154491155) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one.

Molecular Properties

Compound Name4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
PubChem CID154491155
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one
SMILESCC(=O)c1c(-c2ccc(Cl)cc2)c(=O)n(C)c2c1c1ccccc1n2C
InChIInChI=1S/C21H17ClN2O2/c1-12(25)17-18(13-8-10-14(22)11-9-13)21(26)24(3)20-19(17)15-6-4-5-7-16(15)23(20)2/h4-11H,1-3H3
InChIKeyOBYKNYKMOCJYAP-UHFFFAOYSA-N
XLogP4.55
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-3-hydroxy-1-methylquinolin-2-one
CID 134987022
3-acetyl-4-hydroxy-1-methylquinolin-2-one
CID 54697138
2-(4-chlorophenyl)-3-iodo-1-methylquinolin-4-one
CID 11703927
N-(6-chloro-1-methyl-2-oxo-4-phenylquinolin-3-yl)acetamide
CID 11727151
1-(1-methyl-3-phenylindol-2-yl)ethanone
CID 83919736
3-[2-(4-acetylphenoxy)ethoxy]-2-(4-chlorophenyl)-1-methylquinolin-4-one
CID 68958008
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
4-(4-chlorophenyl)-3-[(3S)-3-(furan-2-yl)-2-propanoyl-3,4-dihydropyrazol-5-yl]-1-methylquinolin-2-one
CID 97310084
2-(benzylamino)-3-(4-chlorophenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887774
7-(4-chlorophenyl)benzo[a]quinolizin-6-one
CID 132564751
3-[(3S)-3-amino-3-(4-chlorophenyl)propanoyl]-4-hydroxy-1-methylquinolin-2-one
CID 54747502
2-(4-chlorophenyl)-1-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)indole-3-carboxamide;hydrochloride
CID 70105789

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The IUPAC name of 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one (CID 154491155) is 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one.
What is the SMILES notation for 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The canonical SMILES for 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one is CC(=O)c1c(-c2ccc(Cl)cc2)c(=O)n(C)c2c1c1ccccc1n2C.
What is the InChIKey of 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
The InChIKey is OBYKNYKMOCJYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-12(25)17-18(13-8-10-14(22)11-9-13)21(26)24(3)20-19(17)15-6-4-5-7-16(15)23(20)2/h4-11H,1-3H3.
What are the key properties of 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one?
4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one has a molecular weight of 364.83 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-(4-chlorophenyl)-1,9-dimethylpyrido[2,3-b]indol-2-one is sourced from PubChem (CID 154491155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).