[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate

C23H19N3O3 — CID 54081990

IUPAC[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
SMILESCC(=O)Oc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C23H19N3O3/c1-16(27)29-20-11-12-21-22(13-20)24-15-25-23(21)26-18-7-9-19(10-8-18)28-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25,26)
InChIKeyMNTWZOXQDRCWLX-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.88
Rot. Bonds6

About [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate

[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate (PubChem CID 54081990) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate.

Molecular Properties

Compound Name[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
PubChem CID54081990
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
SMILESCC(=O)Oc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C23H19N3O3/c1-16(27)29-20-11-12-21-22(13-20)24-15-25-23(21)26-18-7-9-19(10-8-18)28-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25,26)
InChIKeyMNTWZOXQDRCWLX-UHFFFAOYSA-N
XLogP4.88
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-(4-phenylmethoxyanilino)quinazolin-7-yl] 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

4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
N-[7-methoxy-4-(4-phenylmethoxyanilino)quinazolin-6-yl]propanamide
CID 134138310
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
7-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57193633
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)butyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 67618217

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate?
The IUPAC name of [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate (CID 54081990) is [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate.
What is the SMILES notation for [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate?
The canonical SMILES for [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate is CC(=O)Oc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate?
The InChIKey is MNTWZOXQDRCWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16(27)29-20-11-12-21-22(13-20)24-15-25-23(21)26-18-7-9-19(10-8-18)28-14-17-5-3-2-4-6-17/h2-13,15H,14H2,1H3,(H,24,25,26).
What are the key properties of [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate?
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate has a molecular weight of 385.42 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate is sourced from PubChem (CID 54081990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).