(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol

C17H16N2OS — CID 139086944

IUPAC(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol
SMILESCSc1nc(C[C@@H](O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-21-17-13-9-5-6-10-14(13)18-16(19-17)11-15(20)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3/t15-/m1/s1
InChIKeyNMMNMAYALYDWCR-OAHLLOKOSA-N
MW296.40 g/mol
LogP3.63
Rot. Bonds4

About (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol

(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol (PubChem CID 139086944) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol
PubChem CID139086944
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol
SMILESCSc1nc(C[C@@H](O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C17H16N2OS/c1-21-17-13-9-5-6-10-14(13)18-16(19-17)11-15(20)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3/t15-/m1/s1
InChIKeyNMMNMAYALYDWCR-OAHLLOKOSA-N
XLogP3.63
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-methylsulfanylquinazoline
CID 11615390
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
(1R)-1-phenyl-2-quinolin-2-ylethanol
CID 92849987
1-(4-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497225
(1R)-1,2-diphenylethanol
CID 1379022
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
2-[2-[(dimethylamino)methyl]quinazolin-4-yl]sulfanylpropanoic acid
CID 21004046
2-amino-1-phenylethanol;ethane
CID 91425169
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
N-(2-hydroxy-2-phenylethyl)-2-methylsulfanylpyridine-3-carboxamide
CID 43391291
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol?
The IUPAC name of (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol (CID 139086944) is (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol.
What is the SMILES notation for (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol?
The canonical SMILES for (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol is CSc1nc(C[C@@H](O)c2ccccc2)nc2ccccc12.
What is the InChIKey of (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol?
The InChIKey is NMMNMAYALYDWCR-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-21-17-13-9-5-6-10-14(13)18-16(19-17)11-15(20)12-7-3-2-4-8-12/h2-10,15,20H,11H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol?
(1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol has a molecular weight of 296.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-methylsulfanylquinazolin-2-yl)-1-phenylethanol is sourced from PubChem (CID 139086944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).