4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one

C16H16N2O — CID 116985988

IUPAC4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
SMILESCC(=O)CCc1ccc2c(c1)c1cnccc1n2C
InChIInChI=1S/C16H16N2O/c1-11(19)3-4-12-5-6-15-13(9-12)14-10-17-8-7-16(14)18(15)2/h5-10H,3-4H2,1-2H3
InChIKeyIQLOBZKANMNMRY-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.25
Rot. Bonds3

About 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one

4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one (PubChem CID 116985988) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one.

Molecular Properties

Compound Name4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
PubChem CID116985988
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one
SMILESCC(=O)CCc1ccc2c(c1)c1cnccc1n2C
InChIInChI=1S/C16H16N2O/c1-11(19)3-4-12-5-6-15-13(9-12)14-10-17-8-7-16(14)18(15)2/h5-10H,3-4H2,1-2H3
InChIKeyIQLOBZKANMNMRY-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methylpyrido[4,3-b]indol-8-yl)acetic acid
CID 116985962
3-(5-methylpyrido[4,3-b]indol-7-yl)-N-prop-1-en-2-ylpropanamide
CID 137418675
N-ethyl-3-(5-methylpyrido[4,3-b]indol-7-yl)propanamide;molecular hydrogen
CID 142517138
4-(1-methylimidazo[4,5-c]pyridin-2-yl)butan-2-one
CID 83857986
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
2-(5-methylpyrido[4,3-b]indol-8-yl)propan-2-ol
CID 116985992
6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
CID 67988444
methyl 5-methylpyrido[4,3-b]indole-7-carboxylate
CID 116986202
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
4-isoquinolin-8-ylbutan-2-one
CID 103144158
(5-methylpyrido[4,3-b]indol-8-yl)hydrazine
CID 116986023
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one?
The IUPAC name of 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one (CID 116985988) is 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one.
What is the SMILES notation for 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one?
The canonical SMILES for 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one is CC(=O)CCc1ccc2c(c1)c1cnccc1n2C.
What is the InChIKey of 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one?
The InChIKey is IQLOBZKANMNMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(19)3-4-12-5-6-15-13(9-12)14-10-17-8-7-16(14)18(15)2/h5-10H,3-4H2,1-2H3.
What are the key properties of 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one?
4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one has a molecular weight of 252.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpyrido[4,3-b]indol-8-yl)butan-2-one is sourced from PubChem (CID 116985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).