(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol

C18H19N3O3S — CID 124743600

IUPAC(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
SMILESCc1cccc([C@H](O)CNc2ncnc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H19N3O3S/c1-12-4-3-5-13(8-12)17(22)10-19-18-15-9-14(25(2,23)24)6-7-16(15)20-11-21-18/h3-9,11,17,22H,10H2,1-2H3,(H,19,20,21)/t17-/m1/s1
InChIKeyZBEOXFYWNWTLQP-QGZVFWFLSA-N
MW357.44 g/mol
LogP2.49
Rot. Bonds5

About (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol

(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol (PubChem CID 124743600) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol.

Molecular Properties

Compound Name(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
PubChem CID124743600
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
SMILESCc1cccc([C@H](O)CNc2ncnc3ccc(S(C)(=O)=O)cc23)c1
InChIInChI=1S/C18H19N3O3S/c1-12-4-3-5-13(8-12)17(22)10-19-18-15-9-14(25(2,23)24)6-7-16(15)20-11-21-18/h3-9,11,17,22H,10H2,1-2H3,(H,19,20,21)/t17-/m1/s1
InChIKeyZBEOXFYWNWTLQP-QGZVFWFLSA-N
XLogP2.49
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
(1S)-1-phenyl-2-(quinazolin-4-ylamino)ethanol
CID 93317181
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]-N-methylpyridine-3-sulfonamide
CID 133375806
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
CID 124851919
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
N-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119049577
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)amino]-1-(3-methylphenyl)ethanol
CID 133375786
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045660
2-[(5-bromo-3-nitro-2-pyridinyl)amino]-1-(3-methylphenyl)ethanol
CID 133375916

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol?
The IUPAC name of (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol (CID 124743600) is (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol.
What is the SMILES notation for (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol?
The canonical SMILES for (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol is Cc1cccc([C@H](O)CNc2ncnc3ccc(S(C)(=O)=O)cc23)c1.
What is the InChIKey of (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol?
The InChIKey is ZBEOXFYWNWTLQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-12-4-3-5-13(8-12)17(22)10-19-18-15-9-14(25(2,23)24)6-7-16(15)20-11-21-18/h3-9,11,17,22H,10H2,1-2H3,(H,19,20,21)/t17-/m1/s1.
What are the key properties of (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol?
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol has a molecular weight of 357.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol is sourced from PubChem (CID 124743600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).