4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid

C15H14N2O3 — CID 136900901

IUPAC4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid
SMILESO=C(O)C1CCCc2c1nc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C15H14N2O3/c18-14-10-7-4-8-11(15(19)20)12(10)16-13(17-14)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,19,20)(H,16,17,18)
InChIKeyDANDXRRYCCSORR-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.94
Rot. Bonds2

About 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid

4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid (PubChem CID 136900901) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid.

Molecular Properties

Compound Name4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid
PubChem CID136900901
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid
SMILESO=C(O)C1CCCc2c1nc(-c1ccccc1)[nH]c2=O
InChIInChI=1S/C15H14N2O3/c18-14-10-7-4-8-11(15(19)20)12(10)16-13(17-14)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,19,20)(H,16,17,18)
InChIKeyDANDXRRYCCSORR-UHFFFAOYSA-N
XLogP1.94
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid?
The IUPAC name of 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid (CID 136900901) is 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid.
What is the SMILES notation for 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid?
The canonical SMILES for 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid is O=C(O)C1CCCc2c1nc(-c1ccccc1)[nH]c2=O.
What is the InChIKey of 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid?
The InChIKey is DANDXRRYCCSORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14-10-7-4-8-11(15(19)20)12(10)16-13(17-14)9-5-2-1-3-6-9/h1-3,5-6,11H,4,7-8H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid?
4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-phenyl-5,6,7,8-tetrahydro-3H-quinazoline-8-carboxylic acid is sourced from PubChem (CID 136900901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).