3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one

C18H16N2O — CID 58028137

IUPAC3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
SMILESCc1cnc2[nH]c3c(c2c1)C(=O)CC(c1ccccc1)C3
InChIInChI=1S/C18H16N2O/c1-11-7-14-17-15(20-18(14)19-10-11)8-13(9-16(17)21)12-5-3-2-4-6-12/h2-7,10,13H,8-9H2,1H3,(H,19,20)
InChIKeyQRNVPMWNQCGREM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.78
Rot. Bonds1

About 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one

3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one (PubChem CID 58028137) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one.

Molecular Properties

Compound Name3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
PubChem CID58028137
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one
SMILESCc1cnc2[nH]c3c(c2c1)C(=O)CC(c1ccccc1)C3
InChIInChI=1S/C18H16N2O/c1-11-7-14-17-15(20-18(14)19-10-11)8-13(9-16(17)21)12-5-3-2-4-6-12/h2-7,10,13H,8-9H2,1H3,(H,19,20)
InChIKeyQRNVPMWNQCGREM-UHFFFAOYSA-N
XLogP3.78
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The IUPAC name of 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one (CID 58028137) is 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one.
What is the SMILES notation for 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The canonical SMILES for 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one is Cc1cnc2[nH]c3c(c2c1)C(=O)CC(c1ccccc1)C3.
What is the InChIKey of 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
The InChIKey is QRNVPMWNQCGREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-7-14-17-15(20-18(14)19-10-11)8-13(9-16(17)21)12-5-3-2-4-6-12/h2-7,10,13H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one?
3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one has a molecular weight of 276.34 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-phenyl-6,7,8,9-tetrahydropyrido[2,3-b]indol-5-one is sourced from PubChem (CID 58028137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).