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

C14H10N2O3 — CID 3047246

IUPAC2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-4-11-10(6-8)13(17)16-7-9(14(18)19)3-5-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKeyJWAVEEBWRNQONY-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.85
Rot. Bonds1

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

2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 3047246) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
PubChem CID3047246
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C14H10N2O3/c1-8-2-4-11-10(6-8)13(17)16-7-9(14(18)19)3-5-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKeyJWAVEEBWRNQONY-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (CID 3047246) is 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is Cc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1.
What is the InChIKey of 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is JWAVEEBWRNQONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8-2-4-11-10(6-8)13(17)16-7-9(14(18)19)3-5-12(16)15-11/h2-7H,1H3,(H,18,19).
What are the key properties of 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
2-methyl-11-oxopyrido[2,1-b]quinazoline-8-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 2-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 3047246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).