2-[(2-phenylquinazolin-4-yl)amino]acetate

C16H12N3O2- — CID 4053821

IUPAC2-[(2-phenylquinazolin-4-yl)amino]acetate
SMILESO=C([O-])CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13N3O2/c20-14(21)10-17-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)(H,17,18,19)/p-1
InChIKeyYDWBBGCNUQEBAW-UHFFFAOYSA-M
MW278.29 g/mol
LogP1.46
Rot. Bonds4

About 2-[(2-phenylquinazolin-4-yl)amino]acetate

2-[(2-phenylquinazolin-4-yl)amino]acetate (PubChem CID 4053821) has the molecular formula C16H12N3O2- and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-[(2-phenylquinazolin-4-yl)amino]acetate.

Molecular Properties

Compound Name2-[(2-phenylquinazolin-4-yl)amino]acetate
PubChem CID4053821
Molecular FormulaC16H12N3O2-
Molecular Weight278.29 g/mol
Exact Mass278.09
IUPAC Name2-[(2-phenylquinazolin-4-yl)amino]acetate
SMILESO=C([O-])CNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13N3O2/c20-14(21)10-17-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)(H,17,18,19)/p-1
InChIKeyYDWBBGCNUQEBAW-UHFFFAOYSA-M
XLogP1.46
TPSA77.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2-phenylquinazolin-4-yl)amino]acetate with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-phenylquinazolin-4-yl)amino]-N-prop-2-ynylacetamide
CID 133278092
(2S)-3-hydroxy-2-[(2-phenylquinazolin-4-yl)amino]propanoate
CID 6926985
2-[(2-phenylquinazolin-4-yl)amino]ethanol;hydrochloride
CID 2789481
2-phenyl-N-propylquinazolin-4-amine
CID 10244508
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
3-methyl-N-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]butanamide
CID 42809222
3-[[2-(4-chlorophenyl)quinazolin-4-yl]amino]propanoic acid
CID 7728857
1-[4-[2-[(2-phenylquinazolin-4-yl)amino]ethyl]piperazin-1-yl]ethanone
CID 60502729
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 4880961
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
2-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine;dihydrochloride
CID 45261670
3-nitro-N-(2-phenylquinazolin-4-yl)benzamide
CID 155524329

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]acetate?
The IUPAC name of 2-[(2-phenylquinazolin-4-yl)amino]acetate (CID 4053821) is 2-[(2-phenylquinazolin-4-yl)amino]acetate.
What is the SMILES notation for 2-[(2-phenylquinazolin-4-yl)amino]acetate?
The canonical SMILES for 2-[(2-phenylquinazolin-4-yl)amino]acetate is O=C([O-])CNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[(2-phenylquinazolin-4-yl)amino]acetate?
The InChIKey is YDWBBGCNUQEBAW-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H13N3O2/c20-14(21)10-17-16-12-8-4-5-9-13(12)18-15(19-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,20,21)(H,17,18,19)/p-1.
What are the key properties of 2-[(2-phenylquinazolin-4-yl)amino]acetate?
2-[(2-phenylquinazolin-4-yl)amino]acetate has a molecular weight of 278.29 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylquinazolin-4-yl)amino]acetate is sourced from PubChem (CID 4053821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).