(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol

C18H18N2O2S — CID 935771

IUPAC(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol
SMILESCc1nc(SC[C@H](O)COc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-13-16-9-5-6-10-17(16)20-18(19-13)23-12-14(21)11-22-15-7-3-2-4-8-15/h2-10,14,21H,11-12H2,1H3/t14-/m1/s1
InChIKeyGRUQBBVQMCGBHY-CQSZACIVSA-N
MW326.42 g/mol
LogP3.47
Rot. Bonds6

About (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol

(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol (PubChem CID 935771) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol
PubChem CID935771
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol
SMILESCc1nc(SC[C@H](O)COc2ccccc2)nc2ccccc12
InChIInChI=1S/C18H18N2O2S/c1-13-16-9-5-6-10-17(16)20-18(19-13)23-12-14(21)11-22-15-7-3-2-4-8-15/h2-10,14,21H,11-12H2,1H3/t14-/m1/s1
InChIKeyGRUQBBVQMCGBHY-CQSZACIVSA-N
XLogP3.47
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol with MolForge

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Related Compounds

1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
CID 110897911
1-(4-tert-butylphenoxy)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 2842751
2-(2-hydroxy-3-phenoxypropyl)sulfanylbenzoic acid
CID 11472217
6-(2-hydroxy-3-phenoxypropyl)sulfanyl-1H-1,3,5-triazine-2,4-dithione
CID 118963290
1-phenoxy-3-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 2842739
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
1-methoxy-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-ol
CID 65043787
2-(2-hydroxy-3-phenoxypropyl)sulfanyl-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 4113681
(2S)-1-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol
CID 40661866
1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-3-phenoxypropan-2-ol
CID 5160986
(2S)-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-phenoxypropan-2-ol
CID 41457712

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The IUPAC name of (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol (CID 935771) is (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol.
What is the SMILES notation for (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The canonical SMILES for (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol is Cc1nc(SC[C@H](O)COc2ccccc2)nc2ccccc12.
What is the InChIKey of (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
The InChIKey is GRUQBBVQMCGBHY-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-13-16-9-5-6-10-17(16)20-18(19-13)23-12-14(21)11-22-15-7-3-2-4-8-15/h2-10,14,21H,11-12H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol?
(2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol has a molecular weight of 326.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylquinazolin-2-yl)sulfanyl-3-phenoxypropan-2-ol is sourced from PubChem (CID 935771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).