3-quinazolin-2-ylsulfanylbutan-1-ol

C12H14N2OS — CID 114789384

IUPAC3-quinazolin-2-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1ncc2ccccc2n1
InChIInChI=1S/C12H14N2OS/c1-9(6-7-15)16-12-13-8-10-4-2-3-5-11(10)14-12/h2-5,8-9,15H,6-7H2,1H3
InChIKeyCCLSTWCVCRFWBZ-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.49
Rot. Bonds4

About 3-quinazolin-2-ylsulfanylbutan-1-ol

3-quinazolin-2-ylsulfanylbutan-1-ol (PubChem CID 114789384) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 3-quinazolin-2-ylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-quinazolin-2-ylsulfanylbutan-1-ol
PubChem CID114789384
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name3-quinazolin-2-ylsulfanylbutan-1-ol
SMILESCC(CCO)Sc1ncc2ccccc2n1
InChIInChI=1S/C12H14N2OS/c1-9(6-7-15)16-12-13-8-10-4-2-3-5-11(10)14-12/h2-5,8-9,15H,6-7H2,1H3
InChIKeyCCLSTWCVCRFWBZ-UHFFFAOYSA-N
XLogP2.49
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylquinoxalin-2-yl)sulfanylbutan-1-ol
CID 66137216
3-(5-bromopyrimidin-2-yl)sulfanylbutan-1-ol
CID 66136090
3-[(2-aminoquinolin-3-yl)methylsulfanyl]butan-1-ol
CID 66136862
4-(4-hydroxybutan-2-ylsulfanyl)quinoline-3-carbonitrile
CID 66136967
2-but-3-yn-2-ylquinazoline
CID 173036469
2-methyl-2-quinazolin-2-ylsulfanylpropanoic acid
CID 114788764
3-(1,2,4-benzotriazin-3-ylsulfanyl)butanoic acid
CID 103203952
3-[(3-methyl-2-pyridinyl)sulfanyl]butan-1-ol
CID 66136520
butane-1,3-diol;2-methylquinoline
CID 141397242
1-(quinazolin-2-ylamino)propan-2-ol
CID 114788870
3-(2-aminopyrimidin-4-yl)sulfanylbutan-1-ol
CID 80890575
1-[methyl(quinazolin-2-yl)amino]propan-2-ol
CID 114789604

Frequently Asked Questions

What is the IUPAC name of 3-quinazolin-2-ylsulfanylbutan-1-ol?
The IUPAC name of 3-quinazolin-2-ylsulfanylbutan-1-ol (CID 114789384) is 3-quinazolin-2-ylsulfanylbutan-1-ol.
What is the SMILES notation for 3-quinazolin-2-ylsulfanylbutan-1-ol?
The canonical SMILES for 3-quinazolin-2-ylsulfanylbutan-1-ol is CC(CCO)Sc1ncc2ccccc2n1.
What is the InChIKey of 3-quinazolin-2-ylsulfanylbutan-1-ol?
The InChIKey is CCLSTWCVCRFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-9(6-7-15)16-12-13-8-10-4-2-3-5-11(10)14-12/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 3-quinazolin-2-ylsulfanylbutan-1-ol?
3-quinazolin-2-ylsulfanylbutan-1-ol has a molecular weight of 234.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinazolin-2-ylsulfanylbutan-1-ol is sourced from PubChem (CID 114789384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).