4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol

C16H14FN3O2 — CID 137185960

IUPAC4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1O
InChIInChI=1S/C16H14FN3O2/c1-9-5-10(3-4-12(9)17)20-16-11-6-15(22-2)14(21)7-13(11)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyAUIHMDNMUYIQJH-UHFFFAOYSA-N
MW299.31 g/mol
LogP3.54
Rot. Bonds3

About 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol

4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol (PubChem CID 137185960) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol.

Molecular Properties

Compound Name4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
PubChem CID137185960
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
SMILESCOc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1O
InChIInChI=1S/C16H14FN3O2/c1-9-5-10(3-4-12(9)17)20-16-11-6-15(22-2)14(21)7-13(11)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyAUIHMDNMUYIQJH-UHFFFAOYSA-N
XLogP3.54
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338
6-(3-aminopropoxy)-N-(4-fluoro-3-methylphenyl)-7-methoxyquinazolin-4-amine
CID 156814297
4-(2-fluoro-5-hydroxy-4-methylanilino)-6-methoxyquinazolin-7-ol
CID 135549384
4-(3-bromoanilino)-6-methoxyquinazolin-7-ol
CID 135533250
7-chloro-N-(3-chloro-4-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 19001458
4-N-(4-fluoro-3-methylphenyl)-6-N-methylquinazoline-4,6-diamine
CID 142342890
4-N-(4-fluoro-3-methylphenyl)quinazoline-4,7-diamine
CID 65336890
[4-(4-fluoro-3-methylanilino)-6-(3-methylbutoxy)quinazolin-7-yl]methanol
CID 164975823
3-[(6,7-dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol;hydrochloride
CID 118112107
N-(4-fluoro-3-methylphenyl)-6-methylpyrido[3,4-d]pyrimidin-4-amine;hydrochloride
CID 22460838
N-(3-ethynyl-4-fluorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 58172595
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol?
The IUPAC name of 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol (CID 137185960) is 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol.
What is the SMILES notation for 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol?
The canonical SMILES for 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol is COc1cc2c(Nc3ccc(F)c(C)c3)ncnc2cc1O.
What is the InChIKey of 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol?
The InChIKey is AUIHMDNMUYIQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-9-5-10(3-4-12(9)17)20-16-11-6-15(22-2)14(21)7-13(11)18-8-19-16/h3-8,21H,1-2H3,(H,18,19,20).
What are the key properties of 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol?
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol has a molecular weight of 299.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol is sourced from PubChem (CID 137185960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).