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

C15H12N2O4 — CID 70549091

IUPAC2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1C
InChIInChI=1S/C15H12N2O4/c1-8-11(21-2)5-4-10-13(8)14(18)17-7-9(15(19)20)3-6-12(17)16-10/h3-7H,1-2H3,(H,19,20)
InChIKeyQBBZEMGEIRNVRN-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.86
Rot. Bonds2

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

2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 70549091) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
PubChem CID70549091
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1C
InChIInChI=1S/C15H12N2O4/c1-8-11(21-2)5-4-10-13(8)14(18)17-7-9(15(19)20)3-6-12(17)16-10/h3-7H,1-2H3,(H,19,20)
InChIKeyQBBZEMGEIRNVRN-UHFFFAOYSA-N
XLogP1.86
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.86
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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Related Compounds

3-methyl-4-oxo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531151
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635057
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 13052286
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
3-butyl-4-oxo-2-[2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635750
4-oxo-3-propyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531113
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
6-[(2-methoxyphenyl)methylidene]-2-oxo-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene-12-carboxylic acid
CID 56631792
2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 13435022
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
3-amino-2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82356044

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (CID 70549091) is 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is COc1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1C.
What is the InChIKey of 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is QBBZEMGEIRNVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-8-11(21-2)5-4-10-13(8)14(18)17-7-9(15(19)20)3-6-12(17)16-10/h3-7H,1-2H3,(H,19,20).
What are the key properties of 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 70549091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).