4-(4-phenylmethoxyanilino)quinazolin-7-ol

C21H17N3O2 — CID 135984119

IUPAC4-(4-phenylmethoxyanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C21H17N3O2/c25-17-8-11-19-20(12-17)22-14-23-21(19)24-16-6-9-18(10-7-16)26-13-15-4-2-1-3-5-15/h1-12,14,25H,13H2,(H,22,23,24)
InChIKeyHRBWFMQKRKDQBL-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-phenylmethoxyanilino)quinazolin-7-ol

4-(4-phenylmethoxyanilino)quinazolin-7-ol (PubChem CID 135984119) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(4-phenylmethoxyanilino)quinazolin-7-ol.

Molecular Properties

Compound Name4-(4-phenylmethoxyanilino)quinazolin-7-ol
PubChem CID135984119
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-(4-phenylmethoxyanilino)quinazolin-7-ol
SMILESOc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1
InChIInChI=1S/C21H17N3O2/c25-17-8-11-19-20(12-17)22-14-23-21(19)24-16-6-9-18(10-7-16)26-13-15-4-2-1-3-5-15/h1-12,14,25H,13H2,(H,22,23,24)
InChIKeyHRBWFMQKRKDQBL-UHFFFAOYSA-N
XLogP4.66
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(4-fluorophenyl)methoxy]anilino]quinazolin-7-ol
CID 155525820
[4-(4-phenylmethoxyanilino)quinazolin-7-yl] acetate
CID 54081990
6,7-dimethoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine;hydrochloride
CID 67698355
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
2-[4-(4-phenylmethoxyanilino)quinazolin-6-yl]prop-2-enoic acid
CID 18535943
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
6-methylsulfanyl-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57260574
N-(4-phenylmethoxyphenyl)-6-(2,2,2-trifluoroethoxy)quinazolin-4-amine
CID 56981677
4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041
7-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 57193633
N-(4-phenylmethoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
CID 22112865

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxyanilino)quinazolin-7-ol?
The IUPAC name of 4-(4-phenylmethoxyanilino)quinazolin-7-ol (CID 135984119) is 4-(4-phenylmethoxyanilino)quinazolin-7-ol.
What is the SMILES notation for 4-(4-phenylmethoxyanilino)quinazolin-7-ol?
The canonical SMILES for 4-(4-phenylmethoxyanilino)quinazolin-7-ol is Oc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1.
What is the InChIKey of 4-(4-phenylmethoxyanilino)quinazolin-7-ol?
The InChIKey is HRBWFMQKRKDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c25-17-8-11-19-20(12-17)22-14-23-21(19)24-16-6-9-18(10-7-16)26-13-15-4-2-1-3-5-15/h1-12,14,25H,13H2,(H,22,23,24).
What are the key properties of 4-(4-phenylmethoxyanilino)quinazolin-7-ol?
4-(4-phenylmethoxyanilino)quinazolin-7-ol has a molecular weight of 343.39 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxyanilino)quinazolin-7-ol is sourced from PubChem (CID 135984119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).