3-[(2-phenylquinazolin-4-yl)amino]benzoic acid

C21H15N3O2 — CID 715631

IUPAC3-[(2-phenylquinazolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H15N3O2/c25-21(26)15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,25,26)(H,22,23,24)
InChIKeySZSCCJBAFZWMEW-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.74
Rot. Bonds4

About 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid

3-[(2-phenylquinazolin-4-yl)amino]benzoic acid (PubChem CID 715631) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenylquinazolin-4-yl)amino]benzoic acid
PubChem CID715631
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-[(2-phenylquinazolin-4-yl)amino]benzoic acid
SMILESO=C(O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C21H15N3O2/c25-21(26)15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,25,26)(H,22,23,24)
InChIKeySZSCCJBAFZWMEW-UHFFFAOYSA-N
XLogP4.74
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid?
The IUPAC name of 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid (CID 715631) is 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid.
What is the SMILES notation for 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid?
The canonical SMILES for 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid is O=C(O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid?
The InChIKey is SZSCCJBAFZWMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-21(26)15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,25,26)(H,22,23,24).
What are the key properties of 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid?
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid has a molecular weight of 341.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylquinazolin-4-yl)amino]benzoic acid is sourced from PubChem (CID 715631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).