(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol

C19H21N3O4S — CID 168886703

IUPAC(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
SMILES[H]N=S(=O)(N[C@H](C)CO)c1ccc(Oc2ccnc3cc(OC)ccc23)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(12-23)22-27(20,24)16-6-3-14(4-7-16)26-19-9-10-21-18-11-15(25-2)5-8-17(18)19/h3-11,13,23H,12H2,1-2H3,(H2,20,22,24)/t13-,27?/m1/s1
InChIKeyRFTDNSYRBXFJRI-YAIASZBKSA-N
MW387.46 g/mol
LogP3.33
Rot. Bonds7

About (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol

(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol (PubChem CID 168886703) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
PubChem CID168886703
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC Name(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
SMILES[H]N=S(=O)(N[C@H](C)CO)c1ccc(Oc2ccnc3cc(OC)ccc23)cc1
InChIInChI=1S/C19H21N3O4S/c1-13(12-23)22-27(20,24)16-6-3-14(4-7-16)26-19-9-10-21-18-11-15(25-2)5-8-17(18)19/h3-11,13,23H,12H2,1-2H3,(H2,20,22,24)/t13-,27?/m1/s1
InChIKeyRFTDNSYRBXFJRI-YAIASZBKSA-N
XLogP3.33
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol with MolForge

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Related Compounds

N-[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 166845109
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]methanamine
CID 166845340
(2R)-1-[[N-[(1R)-1-(4-methoxyphenyl)ethyl]-S-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-2-ol
CID 168886681
[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
CID 166561904
imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
CID 166562049
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
4,7-dimethoxyquinoline
CID 20743716
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
CID 168886816
4-[4-[S-amino-N-[[(2S)-pyrrolidin-2-yl]methyl]sulfonimidoyl]phenoxy]-7-methoxyquinoline
CID 168797230
[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
CID 157102986

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol (CID 168886703) is (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol is [H]N=S(=O)(N[C@H](C)CO)c1ccc(Oc2ccnc3cc(OC)ccc23)cc1.
What is the InChIKey of (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol?
The InChIKey is RFTDNSYRBXFJRI-YAIASZBKSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-13(12-23)22-27(20,24)16-6-3-14(4-7-16)26-19-9-10-21-18-11-15(25-2)5-8-17(18)19/h3-11,13,23H,12H2,1-2H3,(H2,20,22,24)/t13-,27?/m1/s1.
What are the key properties of (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol?
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol has a molecular weight of 387.46 g/mol, XLogP of 3.33, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol is sourced from PubChem (CID 168886703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).