8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid

C14H10N2O3 — CID 3052354

IUPAC8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESCc1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-5-12-15-11-4-3-9(14(18)19)6-10(11)13(17)16(12)7-8/h2-7H,1H3,(H,18,19)
InChIKeyYRJDGHURCRQXTP-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.85
Rot. Bonds1

About 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid

8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid (PubChem CID 3052354) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid
PubChem CID3052354
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESCc1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-5-12-15-11-4-3-9(14(18)19)6-10(11)13(17)16(12)7-8/h2-7H,1H3,(H,18,19)
InChIKeyYRJDGHURCRQXTP-UHFFFAOYSA-N
XLogP1.85
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid (CID 3052354) is 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid is Cc1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1.
What is the InChIKey of 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid?
The InChIKey is YRJDGHURCRQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-2-5-12-15-11-4-3-9(14(18)19)6-10(11)13(17)16(12)7-8/h2-7H,1H3,(H,18,19).
What are the key properties of 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid?
8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-11-oxopyrido[2,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 3052354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).