11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid

C16H14N2O3 — CID 12562128

IUPAC11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCC(C)c1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C16H14N2O3/c1-9(2)10-3-5-13-12(7-10)15(19)18-8-11(16(20)21)4-6-14(18)17-13/h3-9H,1-2H3,(H,20,21)
InChIKeyWOWXQGVIYOJJJX-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.67
Rot. Bonds2

About 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid

11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid (PubChem CID 12562128) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
PubChem CID12562128
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid
SMILESCC(C)c1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1
InChIInChI=1S/C16H14N2O3/c1-9(2)10-3-5-13-12(7-10)15(19)18-8-11(16(20)21)4-6-14(18)17-13/h3-9H,1-2H3,(H,20,21)
InChIKeyWOWXQGVIYOJJJX-UHFFFAOYSA-N
XLogP2.67
TPSA71.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.67
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 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid?
The IUPAC name of 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid (CID 12562128) is 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid.
What is the SMILES notation for 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid?
The canonical SMILES for 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid is CC(C)c1ccc2nc3ccc(C(=O)O)cn3c(=O)c2c1.
What is the InChIKey of 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid?
The InChIKey is WOWXQGVIYOJJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9(2)10-3-5-13-12(7-10)15(19)18-8-11(16(20)21)4-6-14(18)17-13/h3-9H,1-2H3,(H,20,21).
What are the key properties of 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid?
11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxylic acid is sourced from PubChem (CID 12562128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).