4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol

C14H9ClFN3O — CID 178009457

IUPAC4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol
SMILESNc1ncnc2c(-c3cccc(Cl)c3F)c(O)ccc12
InChIInChI=1S/C14H9ClFN3O/c15-9-3-1-2-7(12(9)16)11-10(20)5-4-8-13(11)18-6-19-14(8)17/h1-6,20H,(H2,17,18,19)
InChIKeyAQKBBDFBEGGOCJ-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.38
Rot. Bonds1

About 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol

4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol (PubChem CID 178009457) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol.

Molecular Properties

Compound Name4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol
PubChem CID178009457
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol
SMILESNc1ncnc2c(-c3cccc(Cl)c3F)c(O)ccc12
InChIInChI=1S/C14H9ClFN3O/c15-9-3-1-2-7(12(9)16)11-10(20)5-4-8-13(11)18-6-19-14(8)17/h1-6,20H,(H2,17,18,19)
InChIKeyAQKBBDFBEGGOCJ-UHFFFAOYSA-N
XLogP3.38
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-8-(2,3-dichlorophenyl)quinazolin-6-ol
CID 178009421
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
2-(2-chlorophenyl)benzene-1,3-diol
CID 163363337
2-(3-chloro-2-fluorophenyl)-3-cyano-N-(diaminomethylidene)-6-hydroxybenzamide
CID 146508033
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
6-(3-chloro-2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 116691260
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056
6-(2,3-dichlorophenyl)-7-fluoro-1-methylpyrrolo[3,2-c]quinolin-3-ol
CID 156882056
4-(3-chloro-2-fluorophenyl)imidazole-1,5-diamine
CID 114488623
6-chloro-5-fluoroisoquinolin-1-amine
CID 114489502
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol?
The IUPAC name of 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol (CID 178009457) is 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol.
What is the SMILES notation for 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol?
The canonical SMILES for 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol is Nc1ncnc2c(-c3cccc(Cl)c3F)c(O)ccc12.
What is the InChIKey of 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol?
The InChIKey is AQKBBDFBEGGOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-9-3-1-2-7(12(9)16)11-10(20)5-4-8-13(11)18-6-19-14(8)17/h1-6,20H,(H2,17,18,19).
What are the key properties of 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol?
4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol has a molecular weight of 289.70 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(3-chloro-2-fluorophenyl)quinazolin-7-ol is sourced from PubChem (CID 178009457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).