4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol

C16H14FN3O3 — CID 135549384

IUPAC4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1O
InChIInChI=1S/C16H14FN3O3/c1-8-3-10(17)12(6-13(8)21)20-16-9-4-15(23-2)14(22)5-11(9)18-7-19-16/h3-7,21-22H,1-2H3,(H,18,19,20)
InChIKeyNJCMKUCCNAOJPS-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.24
Rot. Bonds3

About 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol

4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol (PubChem CID 135549384) has the molecular formula C16H14FN3O3 and a molecular weight of 315.30 g/mol. Its IUPAC name is 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol.

Molecular Properties

Compound Name4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
PubChem CID135549384
Molecular FormulaC16H14FN3O3
Molecular Weight315.30 g/mol
Exact Mass315.10
IUPAC Name4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1O
InChIInChI=1S/C16H14FN3O3/c1-8-3-10(17)12(6-13(8)21)20-16-9-4-15(23-2)14(22)5-11(9)18-7-19-16/h3-7,21-22H,1-2H3,(H,18,19,20)
InChIKeyNJCMKUCCNAOJPS-UHFFFAOYSA-N
XLogP3.24
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol 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-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107
[4-(5-chloro-4-fluoro-2-methylanilino)-7-methoxyquinazolin-6-yl] acetate
CID 173197249
[4-fluoro-5-[(6-methoxy-7-phenylmethoxyquinazolin-4-yl)amino]-2-methylphenyl] methyl carbonate
CID 22624931
[4-(2-fluoro-4-methyl-5-phenylmethoxyanilino)-6-methoxyquinazolin-7-yl] acetate
CID 21260312
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
4-(2-fluoro-5-hydroxy-4-methylanilino)-7-methoxyquinoline-6-carbonitrile
CID 22646515
4-[(6,7-dimethoxyquinazolin-4-yl)amino]naphthalen-1-ol
CID 23382229
2-bromo-3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol;hydrochloride
CID 118112015
4-(2,3-dihydro-1H-inden-4-ylamino)-7-methoxyquinazolin-6-ol
CID 143731355
6-bromo-4-(3-methoxy-2-methylanilino)quinazolin-7-ol
CID 137291069
N-[2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluorophenyl]benzamide;hydrochloride
CID 22732318

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol?
The IUPAC name of 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol (CID 135549384) is 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol.
What is the SMILES notation for 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol?
The canonical SMILES for 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol is COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1O.
What is the InChIKey of 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol?
The InChIKey is NJCMKUCCNAOJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3/c1-8-3-10(17)12(6-13(8)21)20-16-9-4-15(23-2)14(22)5-11(9)18-7-19-16/h3-7,21-22H,1-2H3,(H,18,19,20).
What are the key properties of 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol?
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol has a molecular weight of 315.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol is sourced from PubChem (CID 135549384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).