1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone

C21H18N2O — CID 135060121

IUPAC1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C
InChIInChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3
InChIKeyQJSNUAROMOJGJZ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.46
Rot. Bonds3

About 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone

1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone (PubChem CID 135060121) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
PubChem CID135060121
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone
SMILESCc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C
InChIInChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3
InChIKeyQJSNUAROMOJGJZ-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754722
4-amino-2,9-dimethylpyrido[2,3-b]indole-3-carboxylic acid
CID 15154321
1-(6-methoxy-4,9-dimethylpyrido[2,3-b]indol-2-yl)ethanone
CID 135060319
3-benzyl-2,10-dimethylpyrimido[4,5-b]quinoline-4,5-dione
CID 7646754
10,14-dimethyl-2-phenyl-10,12,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 12780582
4-amino-2-ethyl-9-methylpyrido[2,3-b]indole-3-carboxylic acid
CID 23035456
2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-2-yl)acetamide
CID 25147213
2-(5-bromo-3-pyridinyl)-1-(4-methylquinolin-2-yl)ethanone
CID 114754739
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
10-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 2032213
2,4,9-trimethylcarbazole
CID 12613661
2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
CID 3129853

Frequently Asked Questions

What is the IUPAC name of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The IUPAC name of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone (CID 135060121) is 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone is Cc1cc(C(=O)Cc2ccccc2)nc2c1c1ccccc1n2C.
What is the InChIKey of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
The InChIKey is QJSNUAROMOJGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-14-12-17(19(24)13-15-8-4-3-5-9-15)22-21-20(14)16-10-6-7-11-18(16)23(21)2/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone?
1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone has a molecular weight of 314.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,9-dimethylpyrido[2,3-b]indol-2-yl)-2-phenylethanone is sourced from PubChem (CID 135060121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).