4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol

C21H16FN3O2 — CID 155525820

IUPAC4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(OCc4ccc(F)cc4)cc3)ncnc2c1
InChIInChI=1S/C21H16FN3O2/c22-15-3-1-14(2-4-15)12-27-18-8-5-16(6-9-18)25-21-19-10-7-17(26)11-20(19)23-13-24-21/h1-11,13,26H,12H2,(H,23,24,25)
InChIKeyJNQHGIKBMZODAC-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.80
Rot. Bonds5

About 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol

4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol (PubChem CID 155525820) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
PubChem CID155525820
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(OCc4ccc(F)cc4)cc3)ncnc2c1
InChIInChI=1S/C21H16FN3O2/c22-15-3-1-14(2-4-15)12-27-18-8-5-16(6-9-18)25-21-19-10-7-17(26)11-20(19)23-13-24-21/h1-11,13,26H,12H2,(H,23,24,25)
InChIKeyJNQHGIKBMZODAC-UHFFFAOYSA-N
XLogP4.80
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-phenylmethoxyanilino)quinazolin-7-ol
CID 135984119
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
4-chloro-7-(trifluoromethyl)quinazoline;N-(4-phenylmethoxyphenyl)-7-(trifluoromethyl)quinazolin-4-amine;hydrochloride
CID 160518388
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
7-(3-morpholin-4-ylpropoxy)-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54490718
4-[(6,7-dimethylquinazolin-4-yl)amino]phenol
CID 18685574
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
7-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57193633
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol?
The IUPAC name of 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol (CID 155525820) is 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol is Oc1ccc2c(Nc3ccc(OCc4ccc(F)cc4)cc3)ncnc2c1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol?
The InChIKey is JNQHGIKBMZODAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-15-3-1-14(2-4-15)12-27-18-8-5-16(6-9-18)25-21-19-10-7-17(26)11-20(19)23-13-24-21/h1-11,13,26H,12H2,(H,23,24,25).
What are the key properties of 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol?
4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol has a molecular weight of 361.38 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol is sourced from PubChem (CID 155525820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).