2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane

C18H18F2N4OS — CID 144764655

IUPAC2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane
SMILESC1CCSC1.Nc1cc(F)c2c(Nc3ccc(F)cc3O)ncnc2c1
InChIInChI=1S/C14H10F2N4O.C4H8S/c15-7-1-2-10(12(21)3-7)20-14-13-9(16)4-8(17)5-11(13)18-6-19-14;1-2-4-5-3-1/h1-6,21H,17H2,(H,18,19,20);1-4H2
InChIKeyHDQAOHYFYPALKI-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.45
Rot. Bonds2

About 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane

2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane (PubChem CID 144764655) has the molecular formula C18H18F2N4OS and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane.

Molecular Properties

Compound Name2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane
PubChem CID144764655
Molecular FormulaC18H18F2N4OS
Molecular Weight376.43 g/mol
Exact Mass376.12
IUPAC Name2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane
SMILESC1CCSC1.Nc1cc(F)c2c(Nc3ccc(F)cc3O)ncnc2c1
InChIInChI=1S/C14H10F2N4O.C4H8S/c15-7-1-2-10(12(21)3-7)20-14-13-9(16)4-8(17)5-11(13)18-6-19-14;1-2-4-5-3-1/h1-6,21H,17H2,(H,18,19,20);1-4H2
InChIKeyHDQAOHYFYPALKI-UHFFFAOYSA-N
XLogP4.45
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622942
5-fluoro-4-N-[4-fluoro-2-(oxolan-3-yloxy)phenyl]quinazoline-4,7-diamine
CID 129116287
2-[(7-bromo-6-methoxy-5-methylquinazolin-4-yl)amino]-5-fluorophenol
CID 118498229
4-N-(2-cyclohexyloxy-4-fluorophenyl)-5-methylquinazoline-4,7-diamine;methanethiol;methanol
CID 144623004
2-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methylsulfanylmethane
CID 144623003
5-fluoro-2-[[5-methyl-7-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]quinazolin-4-yl]amino]phenol
CID 123276195
4-N-[4-fluoro-2-(3-methoxycyclohexyl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 129116341
4-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]cyclohexan-1-ol;methanethiol
CID 144622962
4-N-[2-[(2S)-1-aminopropan-2-yl]oxy-4-fluorophenyl]-5-methylquinazoline-4,7-diamine
CID 134269464
3-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]oxolan-2-one
CID 129117380
2-[(3R)-3-[2-[(7-amino-5-methylquinazolin-4-yl)amino]-5-fluorophenoxy]piperidin-1-yl]ethanol
CID 129116403
4-N-[4-fluoro-2-(1-methylsulfanylpyrrolidin-3-yl)oxyphenyl]-5-methylquinazoline-4,7-diamine
CID 144622975

Frequently Asked Questions

What is the IUPAC name of 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane?
The IUPAC name of 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane (CID 144764655) is 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane.
What is the SMILES notation for 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane?
The canonical SMILES for 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane is C1CCSC1.Nc1cc(F)c2c(Nc3ccc(F)cc3O)ncnc2c1.
What is the InChIKey of 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane?
The InChIKey is HDQAOHYFYPALKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O.C4H8S/c15-7-1-2-10(12(21)3-7)20-14-13-9(16)4-8(17)5-11(13)18-6-19-14;1-2-4-5-3-1/h1-6,21H,17H2,(H,18,19,20);1-4H2.
What are the key properties of 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane?
2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane has a molecular weight of 376.43 g/mol, XLogP of 4.45, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-amino-5-fluoroquinazolin-4-yl)amino]-5-fluorophenol;thiolane is sourced from PubChem (CID 144764655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).