3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol

C16H14FN3O — CID 58329366

IUPAC3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
SMILESCNc1nc(C)c2cc(-c3cc(O)cc(F)c3)ccc2n1
InChIInChI=1S/C16H14FN3O/c1-9-14-7-10(11-5-12(17)8-13(21)6-11)3-4-15(14)20-16(18-2)19-9/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyQZKQBBNZMHNNMQ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.49
Rot. Bonds2

About 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol

3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol (PubChem CID 58329366) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
PubChem CID58329366
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol
SMILESCNc1nc(C)c2cc(-c3cc(O)cc(F)c3)ccc2n1
InChIInChI=1S/C16H14FN3O/c1-9-14-7-10(11-5-12(17)8-13(21)6-11)3-4-15(14)20-16(18-2)19-9/h3-8,21H,1-2H3,(H,18,19,20)
InChIKeyQZKQBBNZMHNNMQ-UHFFFAOYSA-N
XLogP3.49
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-(Benzylamino)quinazolin-2-yl)phenol
CID 915456
6-(3-Methoxyphenyl)quinazolin-4-amine
CID 90054634
4-[[2-(2-Fluorophenyl)quinazolin-4-yl]amino]phenol
CID 2174842
4-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330925
3-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330927
6-[4-(1-phenylethylamino)-1H-quinazolin-2-ylidene]-1-cyclohexa-2,4-dienone
CID 2884035
2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-8-ol
CID 10044934
4-(Methyl-phenyl-amino)-2-o-tolylamino-quinazolin-6-ol
CID 10405976
4-[Methyl-(2-o-tolylamino-quinazolin-4-yl)-amino]-phenol
CID 10450927
4-(Methyl(2-methylquinazolin-4-yl)amino)phenol
CID 11471089
2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-6-ol
CID 11740120
3-[4-Amino-7-(4-dimethylamino-phenyl)-pyrido[2,3-d]pyrimidin-5-yl]-phenol
CID 44381545

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The IUPAC name of 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol (CID 58329366) is 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The canonical SMILES for 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol is CNc1nc(C)c2cc(-c3cc(O)cc(F)c3)ccc2n1.
What is the InChIKey of 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
The InChIKey is QZKQBBNZMHNNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-9-14-7-10(11-5-12(17)8-13(21)6-11)3-4-15(14)20-16(18-2)19-9/h3-8,21H,1-2H3,(H,18,19,20).
What are the key properties of 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol?
3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol has a molecular weight of 283.31 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-methyl-2-(methylamino)quinazolin-6-yl]phenol is sourced from PubChem (CID 58329366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).