2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid

C14H10N2O4 — CID 13052288

IUPAC2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
SMILESCOc1ccc2nc3cc(C(=O)O)ccn3c(=O)c2c1
InChIInChI=1S/C14H10N2O4/c1-20-9-2-3-11-10(7-9)13(17)16-5-4-8(14(18)19)6-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKeyXYHSEANJTLQCQL-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.55
Rot. Bonds2

About 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid

2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid (PubChem CID 13052288) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
PubChem CID13052288
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid
SMILESCOc1ccc2nc3cc(C(=O)O)ccn3c(=O)c2c1
InChIInChI=1S/C14H10N2O4/c1-20-9-2-3-11-10(7-9)13(17)16-5-4-8(14(18)19)6-12(16)15-11/h2-7H,1H3,(H,18,19)
InChIKeyXYHSEANJTLQCQL-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid?
The IUPAC name of 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid (CID 13052288) is 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid.
What is the SMILES notation for 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid?
The canonical SMILES for 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid is COc1ccc2nc3cc(C(=O)O)ccn3c(=O)c2c1.
What is the InChIKey of 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid?
The InChIKey is XYHSEANJTLQCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-20-9-2-3-11-10(7-9)13(17)16-5-4-8(14(18)19)6-12(16)15-11/h2-7H,1H3,(H,18,19).
What are the key properties of 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid?
2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-11-oxopyrido[2,1-b]quinazoline-7-carboxylic acid is sourced from PubChem (CID 13052288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).