1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone

C14H12N2O — CID 46184883

IUPAC1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone
SMILESCC(=O)c1ccc2[nH]c3nc(C)ccc3c2c1
InChIInChI=1S/C14H12N2O/c1-8-3-5-11-12-7-10(9(2)17)4-6-13(12)16-14(11)15-8/h3-7H,1-2H3,(H,15,16)
InChIKeyCUFXZPOFGLCBCB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.23
Rot. Bonds1

About 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone

1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone (PubChem CID 46184883) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone
PubChem CID46184883
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone
SMILESCC(=O)c1ccc2[nH]c3nc(C)ccc3c2c1
InChIInChI=1S/C14H12N2O/c1-8-3-5-11-12-7-10(9(2)17)4-6-13(12)16-14(11)15-8/h3-7H,1-2H3,(H,15,16)
InChIKeyCUFXZPOFGLCBCB-UHFFFAOYSA-N
XLogP3.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-9H-pyrido(2,3-b)indole
CID 62805
2-Amino-3-methyl-9H-pyrido(2,3-b)indole
CID 62244
1H-Pyrido[2,3-b]indole, 2-methyl-
CID 12298349
2,4-Diamino-6-(3-Formylphenyl)-7h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 118708722
1-[4-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 2085389
(2-methyl-1H-benzimidazol-5-yl)(phenyl)methanone
CID 2269665
4-phenyl-9H-pyrimido[4,5-b]indole-6-carboxamide
CID 10401837
1-[4-[(1,3,8-Trimethylpyrazolo[3,4-b]quinolin-4-yl)amino]phenyl]ethanone
CID 44446750
[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrido[2,3-b]indol-4-yl]phenyl]-phenylmethanone
CID 72194923
Ethanone, 1-(2-phenyl-1H-benzimidazol-5-yl)-
CID 56240
8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indole
CID 162624761
1-[4-(3-chloroanilino)-9H-pyrido[2,3-b]indol-6-yl]ethanone
CID 76322137

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone?
The IUPAC name of 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone (CID 46184883) is 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone?
The canonical SMILES for 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone is CC(=O)c1ccc2[nH]c3nc(C)ccc3c2c1.
What is the InChIKey of 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone?
The InChIKey is CUFXZPOFGLCBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-8-3-5-11-12-7-10(9(2)17)4-6-13(12)16-14(11)15-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone?
1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone has a molecular weight of 224.26 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-9H-pyrido[2,3-b]indol-6-yl)ethanone is sourced from PubChem (CID 46184883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).