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

C14H10N2O4 — CID 13052286

IUPAC4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1cccc2c(=O)n3cc(C(=O)O)ccc3nc12
InChIInChI=1S/C14H10N2O4/c1-20-10-4-2-3-9-12(10)15-11-6-5-8(14(18)19)7-16(11)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyKRFHRAAUBLAPSM-UHFFFAOYSA-N
MW270.24 g/mol
LogP1.55
Rot. Bonds2

About 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid

4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 13052286) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
PubChem CID13052286
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCOc1cccc2c(=O)n3cc(C(=O)O)ccc3nc12
InChIInChI=1S/C14H10N2O4/c1-20-10-4-2-3-9-12(10)15-11-6-5-8(14(18)19)7-16(11)13(9)17/h2-7H,1H3,(H,18,19)
InChIKeyKRFHRAAUBLAPSM-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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Related Compounds

2-methoxy-1-methyl-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 70549091
sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
2-[(E)-2-(2-ethoxy-3-methoxyphenyl)ethenyl]-3-ethyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531135
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-chloro-8-methoxy-4-oxoquinazoline-3-carboxylic acid
CID 117264841
3-methyl-4-oxo-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531151
2-[2-(3,4-dimethoxyphenyl)ethenyl]-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 56635057
2-chloro-3-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 165478989
6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
CID 3307924
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
CID 12562128
4-[(3-ethoxy-2-methoxyphenyl)methylidene]-11-oxo-2,3-dihydro-1H-pyrido[2,1-b]quinazoline-8-carboxylic acid
CID 56634449
4-oxo-3-propyl-2-[(E)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 20531113

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid (CID 13052286) is 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is COc1cccc2c(=O)n3cc(C(=O)O)ccc3nc12.
What is the InChIKey of 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is KRFHRAAUBLAPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c1-20-10-4-2-3-9-12(10)15-11-6-5-8(14(18)19)7-16(11)13(9)17/h2-7H,1H3,(H,18,19).
What are the key properties of 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid?
4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-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 4-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 13052286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).