1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone

C20H16N2O — CID 135059905

IUPAC1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)c1cc(C)c2c3ccccc3n(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N2O/c1-13-12-17(14(2)23)21-20-19(13)16-10-6-7-11-18(16)22(20)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyFXOQHDUTSJUGOU-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.69
Rot. Bonds2

About 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone

1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone (PubChem CID 135059905) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
PubChem CID135059905
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone
SMILESCC(=O)c1cc(C)c2c3ccccc3n(-c3ccccc3)c2n1
InChIInChI=1S/C20H16N2O/c1-13-12-17(14(2)23)21-20-19(13)16-10-6-7-11-18(16)22(20)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyFXOQHDUTSJUGOU-UHFFFAOYSA-N
XLogP4.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-methyl-5-phenylpyrido[4,3-b]indole-3-carboxylate
CID 162411116
10,20-diphenyl-1,10,12,20-tetrazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4,6,8,12,14,16,18-octaene-2,21-dione
CID 170401406
6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248474
7-phenylindolo[2,3-c]isoquinoline
CID 140770399
12-(2,6-diphenyl-4-pyridinyl)-5-methyl-11-phenylindolo[2,3-a]carbazole
CID 58142375
3-methyl-9-phenylpyrido[2,3-b]indole
CID 140770387
6-methyl-11-phenylindolo[3,2-c]quinoline
CID 177491970
9-phenylpyrido[2,3-b]indole
CID 15939260
2-methyl-6-phenylindolo[2,3-b]quinoline
CID 132962157
1-(1-acetyl-9-phenylcarbazol-3-yl)ethanone
CID 102587622
14-methyl-8-phenyl-12-oxa-8,10,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,10,13,15-heptaene
CID 15939264
3,11,22-triphenyl-3,11,13,22,24-pentazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,15(23),16,18,20-nonaene-12,14-dione
CID 156863141

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone (CID 135059905) is 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone is CC(=O)c1cc(C)c2c3ccccc3n(-c3ccccc3)c2n1.
What is the InChIKey of 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone?
The InChIKey is FXOQHDUTSJUGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-13-12-17(14(2)23)21-20-19(13)16-10-6-7-11-18(16)22(20)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone?
1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone has a molecular weight of 300.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-9-phenylpyrido[2,3-b]indol-2-yl)ethanone is sourced from PubChem (CID 135059905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).