(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol

C19H21N3O3S — CID 124851919

IUPAC(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
SMILESCc1ccc(C[C@H](CO)Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-3-5-14(6-4-13)9-15(11-23)22-19-17-10-16(26(2,24)25)7-8-18(17)20-12-21-19/h3-8,10,12,15,23H,9,11H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyTVPKBMGKXXORPX-OAHLLOKOSA-N
MW371.46 g/mol
LogP2.36
Rot. Bonds6

About (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol

(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol (PubChem CID 124851919) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
PubChem CID124851919
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
SMILESCc1ccc(C[C@H](CO)Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1
InChIInChI=1S/C19H21N3O3S/c1-13-3-5-14(6-4-13)9-15(11-23)22-19-17-10-16(26(2,24)25)7-8-18(17)20-12-21-19/h3-8,10,12,15,23H,9,11H2,1-2H3,(H,20,21,22)/t15-/m1/s1
InChIKeyTVPKBMGKXXORPX-OAHLLOKOSA-N
XLogP2.36
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
(3R)-3-[[(6-methylsulfonylquinazolin-4-yl)amino]methyl]pentan-1-ol
CID 124741788
(2S)-2-[(6-methylquinazolin-4-yl)amino]propan-1-ol
CID 133428082
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
(2R)-3-ethyl-1-[(6-methylsulfonylquinazolin-4-yl)amino]pentan-2-ol
CID 124847327
(2R)-2-[(6-methylquinazolin-4-yl)amino]butanoate
CID 6927209
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine
CID 90871779
6-methylsulfonyl-N-(oxan-4-ylmethyl)quinazolin-4-amine
CID 119049485
2-(4-chlorophenyl)-2-[(6-methylquinazolin-4-yl)amino]ethanol
CID 133445213
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol?
The IUPAC name of (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol (CID 124851919) is (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol.
What is the SMILES notation for (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol?
The canonical SMILES for (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol is Cc1ccc(C[C@H](CO)Nc2ncnc3ccc(S(C)(=O)=O)cc23)cc1.
What is the InChIKey of (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol?
The InChIKey is TVPKBMGKXXORPX-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-13-3-5-14(6-4-13)9-15(11-23)22-19-17-10-16(26(2,24)25)7-8-18(17)20-12-21-19/h3-8,10,12,15,23H,9,11H2,1-2H3,(H,20,21,22)/t15-/m1/s1.
What are the key properties of (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol?
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol has a molecular weight of 371.46 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 124851919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).