1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

C19H14N2O2 — CID 175123310

IUPAC1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C19H14N2O2/c1-11-6-2-3-7-12(11)17-18-14(10-16(21-17)19(22)23)13-8-4-5-9-15(13)20-18/h2-10,20H,1H3,(H,22,23)
InChIKeyYZINVQLTGABYBR-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.39
Rot. Bonds2

About 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid

1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (PubChem CID 175123310) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
PubChem CID175123310
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C19H14N2O2/c1-11-6-2-3-7-12(11)17-18-14(10-16(21-17)19(22)23)13-8-4-5-9-15(13)20-18/h2-10,20H,1H3,(H,22,23)
InChIKeyYZINVQLTGABYBR-UHFFFAOYSA-N
XLogP4.39
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The IUPAC name of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid (CID 175123310) is 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The canonical SMILES for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is Cc1ccccc1-c1nc(C(=O)O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
The InChIKey is YZINVQLTGABYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-11-6-2-3-7-12(11)17-18-14(10-16(21-17)19(22)23)13-8-4-5-9-15(13)20-18/h2-10,20H,1H3,(H,22,23).
What are the key properties of 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid?
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid is sourced from PubChem (CID 175123310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).