1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid

C20H16N2O3 — CID 68695734

IUPAC1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid
SMILESCn1c(=O)c(-c2ccccc2)cc2c3cc(C(=O)O)ccc3n(C)c21
InChIInChI=1S/C20H16N2O3/c1-21-17-9-8-13(20(24)25)10-15(17)16-11-14(12-6-4-3-5-7-12)19(23)22(2)18(16)21/h3-11H,1-2H3,(H,24,25)
InChIKeySEEJKEISPOSPDD-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.40
Rot. Bonds2

About 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid

1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid (PubChem CID 68695734) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid.

Molecular Properties

Compound Name1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid
PubChem CID68695734
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid
SMILESCn1c(=O)c(-c2ccccc2)cc2c3cc(C(=O)O)ccc3n(C)c21
InChIInChI=1S/C20H16N2O3/c1-21-17-9-8-13(20(24)25)10-15(17)16-11-14(12-6-4-3-5-7-12)19(23)22(2)18(16)21/h3-11H,1-2H3,(H,24,25)
InChIKeySEEJKEISPOSPDD-UHFFFAOYSA-N
XLogP3.40
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid?
The IUPAC name of 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid (CID 68695734) is 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid.
What is the SMILES notation for 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid?
The canonical SMILES for 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid is Cn1c(=O)c(-c2ccccc2)cc2c3cc(C(=O)O)ccc3n(C)c21.
What is the InChIKey of 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid?
The InChIKey is SEEJKEISPOSPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-21-17-9-8-13(20(24)25)10-15(17)16-11-14(12-6-4-3-5-7-12)19(23)22(2)18(16)21/h3-11H,1-2H3,(H,24,25).
What are the key properties of 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid?
1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethyl-2-oxo-3-phenylpyrido[2,3-b]indole-6-carboxylic acid is sourced from PubChem (CID 68695734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).