3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one

C20H16N2O — CID 174549736

IUPAC3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one
SMILESO=C(CCc1ccccc1)n1c2ccccc2c2ccncc21
InChIInChI=1S/C20H16N2O/c23-20(11-10-15-6-2-1-3-7-15)22-18-9-5-4-8-16(18)17-12-13-21-14-19(17)22/h1-9,12-14H,10-11H2
InChIKeyVDFJPVVLMOOKLL-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.46
Rot. Bonds3

About 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one

3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one (PubChem CID 174549736) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one.

Molecular Properties

Compound Name3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one
PubChem CID174549736
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one
SMILESO=C(CCc1ccccc1)n1c2ccccc2c2ccncc21
InChIInChI=1S/C20H16N2O/c23-20(11-10-15-6-2-1-3-7-15)22-18-9-5-4-8-16(18)17-12-13-21-14-19(17)22/h1-9,12-14H,10-11H2
InChIKeyVDFJPVVLMOOKLL-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one?
The IUPAC name of 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one (CID 174549736) is 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one.
What is the SMILES notation for 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one?
The canonical SMILES for 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one is O=C(CCc1ccccc1)n1c2ccccc2c2ccncc21.
What is the InChIKey of 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one?
The InChIKey is VDFJPVVLMOOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c23-20(11-10-15-6-2-1-3-7-15)22-18-9-5-4-8-16(18)17-12-13-21-14-19(17)22/h1-9,12-14H,10-11H2.
What are the key properties of 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one?
3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one has a molecular weight of 300.36 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 3-phenyl-1-pyrido[3,4-b]indol-9-ylpropan-1-one is sourced from PubChem (CID 174549736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).