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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Related Compounds

sodium;hydride;2-methoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid
CID 173433782
8-methoxy-2-methylpyrido[2,1-b]quinazolin-11-one
CID 151157986
6-methoxy-3-methyl-1,2,3-benzotriazin-4-one
CID 122431840
2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357024
2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357020
3-hydroxy-7-methoxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23872051
2-(3-methoxy-11-oxopyrido[2,1-b]quinazolin-8-yl)acetic acid
CID 20525674
8-(hydroxymethyl)-2-propan-2-yloxypyrido[2,1-b]quinazolin-11-one
CID 20525676
3-(2-methoxy-3-pyridinyl)-2-methylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 155071727
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
4-amino-6-methoxyquinazoline-2-carboxylic acid
CID 105473523
9-methoxyimidazo[2,1-a]isoquinoline-3-carboxylic acid
CID 115044613

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).