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

C16H14N2O3 — CID 3052355

IUPAC11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1
InChIInChI=1S/C16H14N2O3/c1-9(2)11-4-6-14-17-13-5-3-10(16(20)21)7-12(13)15(19)18(14)8-11/h3-9H,1-2H3,(H,20,21)
InChIKeyBPZOBPJZRALKPI-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.67
Rot. Bonds2

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

11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid (PubChem CID 3052355) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid.

Molecular Properties

Compound Name11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid
PubChem CID3052355
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid
SMILESCC(C)c1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1
InChIInChI=1S/C16H14N2O3/c1-9(2)11-4-6-14-17-13-5-3-10(16(20)21)7-12(13)15(19)18(14)8-11/h3-9H,1-2H3,(H,20,21)
InChIKeyBPZOBPJZRALKPI-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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Related Compounds

11-Oxo-11H-pyrido(2,1-b)quinazoline-2-carboxylic acid
CID 68830
2-Methyl-11-oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid
CID 3047246
4-[4-Oxo-6-(3-phenyl-propa-1,2-dienyl)-4h-quinazolin-3-ylmethyl]-benzoic acid
CID 22482219
2-[4-[(2-Butyl-6-methyl-4-oxoquinazolin-3-yl)methyl]phenyl]benzoic acid
CID 44459584
11-Oxo-11H-pyrido(2,1-b)quinazoline-8-carboxylic acid
CID 198439
11H-Pyrido(2,1-b)quinazoline-2-carboxylic acid, 8-methyl-11-oxo-
CID 3052354
4-(4-Oxo-3,4-dihydroquinazolin-3-yl)benzoic acid
CID 696653
4-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzoic acid
CID 919994
3-({4-[(2-Methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-prop-2-ynyl-amino]-benzoylamino}-methyl)-benzoic acid
CID 135475312
(E)-4-(4-oxo-2-styrylquinazolin-3(4H)-yl)benzoic acid
CID 5909324
CID 24747641
CID 24747641
(E)-4-(6-Iodo-4-oxo-2-styrylquinazolin-3(4H)-yl)benzoic Acid
CID 46901723

Frequently Asked Questions

What is the IUPAC name of 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid?
The IUPAC name of 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid (CID 3052355) is 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid.
What is the SMILES notation for 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid?
The canonical SMILES for 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid is CC(C)c1ccc2nc3ccc(C(=O)O)cc3c(=O)n2c1.
What is the InChIKey of 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid?
The InChIKey is BPZOBPJZRALKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9(2)11-4-6-14-17-13-5-3-10(16(20)21)7-12(13)15(19)18(14)8-11/h3-9H,1-2H3,(H,20,21).
What are the key properties of 11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid?
11-oxo-8-propan-2-ylpyrido[2,1-b]quinazoline-2-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-8-propan-2-ylpyrido[2,1-b]quinazoline-2-carboxylic acid is sourced from PubChem (CID 3052355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).