2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid

C17H15N3O2 — CID 800517

IUPAC2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid
SMILESCc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)20-17(19-14)18-10-15(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyHZDXKIPWPBDGTG-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.10
Rot. Bonds4

About 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid

2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid (PubChem CID 800517) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid
PubChem CID800517
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid
SMILESCc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)20-17(19-14)18-10-15(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyHZDXKIPWPBDGTG-UHFFFAOYSA-N
XLogP3.10
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid (CID 800517) is 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid is Cc1ccc2nc(NCC(=O)O)nc(-c3ccccc3)c2c1.
What is the InChIKey of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid?
The InChIKey is HZDXKIPWPBDGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-8-14-13(9-11)16(12-5-3-2-4-6-12)20-17(19-14)18-10-15(21)22/h2-9H,10H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid?
2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid has a molecular weight of 293.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-4-phenylquinazolin-2-yl)amino]acetic acid is sourced from PubChem (CID 800517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).