(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol

C24H20N2OS — CID 1305902

IUPAC(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol
SMILESO[C@@H](CSc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H20N2OS/c27-18(16-28-23-13-5-7-17-8-6-14-25-24(17)23)15-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26/h1-14,18,27H,15-16H2/t18-/m1/s1
InChIKeyDEQNKYFSFFAYMH-GOSISDBHSA-N
MW384.50 g/mol
LogP5.50
Rot. Bonds5

About (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol

(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol (PubChem CID 1305902) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol
PubChem CID1305902
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Name(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol
SMILESO[C@@H](CSc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C24H20N2OS/c27-18(16-28-23-13-5-7-17-8-6-14-25-24(17)23)15-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26/h1-14,18,27H,15-16H2/t18-/m1/s1
InChIKeyDEQNKYFSFFAYMH-GOSISDBHSA-N
XLogP5.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-quinolin-8-ylsulfanylacetamide
CID 673909
1-phenyl-2-quinolin-8-ylsulfanylethanone
CID 23884541
1-carbazol-9-yl-3-(pyridin-2-ylamino)propan-2-ol
CID 134161940
2-(2-methylphenyl)sulfanyl-1-quinolin-8-ylethanol
CID 81210035
2-quinolin-8-ylsulfanylacetonitrile
CID 2143520
1-(4-phenylphenyl)-2-quinolin-8-ylsulfanylethanone
CID 2222844
(2S)-1-carbazol-9-yl-3-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol
CID 1346225
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-trimethylazanium
CID 910212
1-(2-benzylsulfanylbenzimidazol-1-yl)-3-carbazol-9-ylpropan-2-ol
CID 23734487
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-dimethylazanium
CID 6577414
[(2S)-3-carbazol-9-yl-2-hydroxypropyl]-methylazanium
CID 2138697

Frequently Asked Questions

What is the IUPAC name of (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol?
The IUPAC name of (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol (CID 1305902) is (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol?
The canonical SMILES for (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol is O[C@@H](CSc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol?
The InChIKey is DEQNKYFSFFAYMH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20N2OS/c27-18(16-28-23-13-5-7-17-8-6-14-25-24(17)23)15-26-21-11-3-1-9-19(21)20-10-2-4-12-22(20)26/h1-14,18,27H,15-16H2/t18-/m1/s1.
What are the key properties of (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol?
(2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol has a molecular weight of 384.50 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-carbazol-9-yl-3-quinolin-8-ylsulfanylpropan-2-ol is sourced from PubChem (CID 1305902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).