1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol

C16H13ClN2OS — CID 63835578

IUPAC1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H13ClN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3
InChIKeyILVNENPNFPZFIY-UHFFFAOYSA-N
MW316.81 g/mol
LogP4.49
Rot. Bonds3

About 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol

1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol (PubChem CID 63835578) has the molecular formula C16H13ClN2OS and a molecular weight of 316.81 g/mol. Its IUPAC name is 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
PubChem CID63835578
Molecular FormulaC16H13ClN2OS
Molecular Weight316.81 g/mol
Exact Mass316.04
IUPAC Name1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol
SMILESCC(O)c1ccc(Sc2ncnc3ccccc23)c(Cl)c1
InChIInChI=1S/C16H13ClN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3
InChIKeyILVNENPNFPZFIY-UHFFFAOYSA-N
XLogP4.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.81
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 63835579
(1S)-1-(4-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951535
1-(5-bromo-2-quinazolin-4-ylsulfanylphenyl)ethanol
CID 82957654
(1S)-1-(3-bromo-4-quinazolin-4-ylsulfanylphenyl)ethanamine
CID 63370242
(1S)-1-(2-fluoro-6-quinazolin-4-ylsulfanylphenyl)ethanol
CID 78951779
2-quinazolin-4-ylsulfanylphenol
CID 62026320
(1S)-1-[3-chloro-4-(2-methylphenyl)sulfanylphenyl]ethanol
CID 55239857
5-methyl-2-quinazolin-4-ylsulfanylaniline
CID 60894209
(1R)-1-[3-chloro-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]ethanol
CID 113431914
1-(3-fluoro-4-quinazolin-4-ylsulfanylphenyl)ethanone
CID 60895654
5-bromo-2-quinazolin-4-ylsulfanylaniline
CID 60893837
4-(2-chlorophenyl)sulfanylquinazoline-7-carboxylic acid
CID 63264273

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol (CID 63835578) is 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol is CC(O)c1ccc(Sc2ncnc3ccccc23)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
The InChIKey is ILVNENPNFPZFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2OS/c1-10(20)11-6-7-15(13(17)8-11)21-16-12-4-2-3-5-14(12)18-9-19-16/h2-10,20H,1H3.
What are the key properties of 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol?
1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol has a molecular weight of 316.81 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-quinazolin-4-ylsulfanylphenyl)ethanol is sourced from PubChem (CID 63835578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).