4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid

C15H12N2O2 — CID 70946027

IUPAC4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid
SMILESO=C(O)C1N=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C15H12N2O2/c18-15(19)14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9,14,16H,(H,18,19)
InChIKeyXAEOJMCFZWPJAJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.36
Rot. Bonds2

About 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid

4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid (PubChem CID 70946027) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid
PubChem CID70946027
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid
SMILESO=C(O)C1N=C(c2ccccc2)c2ccccc2N1
InChIInChI=1S/C15H12N2O2/c18-15(19)14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9,14,16H,(H,18,19)
InChIKeyXAEOJMCFZWPJAJ-UHFFFAOYSA-N
XLogP2.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid?
The IUPAC name of 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid (CID 70946027) is 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid?
The canonical SMILES for 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid is O=C(O)C1N=C(c2ccccc2)c2ccccc2N1.
What is the InChIKey of 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid?
The InChIKey is XAEOJMCFZWPJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c18-15(19)14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9,14,16H,(H,18,19).
What are the key properties of 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid?
4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2-dihydroquinazoline-2-carboxylic acid is sourced from PubChem (CID 70946027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).