N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

C25H22N6O3S — CID 134154155

IUPACN-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccc5n[nH]nc5c4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H22N6O3S/c32-35(33,31-11-13-34-14-12-31)20-5-1-17(2-6-20)18-3-7-22-21(15-18)23(9-10-26-22)27-19-4-8-24-25(16-19)29-30-28-24/h1-10,15-16H,11-14H2,(H,26,27)(H,28,29,30)
InChIKeyOWHAYKXQTXQQAE-UHFFFAOYSA-N
MW486.56 g/mol
LogP3.94
Rot. Bonds5

About N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (PubChem CID 134154155) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
PubChem CID134154155
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC NameN-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccc5n[nH]nc5c4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C25H22N6O3S/c32-35(33,31-11-13-34-14-12-31)20-5-1-17(2-6-20)18-3-7-22-21(15-18)23(9-10-26-22)27-19-4-8-24-25(16-19)29-30-28-24/h1-10,15-16H,11-14H2,(H,26,27)(H,28,29,30)
InChIKeyOWHAYKXQTXQQAE-UHFFFAOYSA-N
XLogP3.94
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-fluoro-N-(4-pyrrolidin-1-ylsulfonylphenyl)quinolin-4-amine
CID 39850740
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
CID 118364925
N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71663311
N-(4-morpholin-4-ylsulfonylphenyl)-4-(5-piperazin-1-yl-1H-pyrrol-2-yl)pyridin-2-amine
CID 141199775
N-[4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine
CID 21314810
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(3-morpholin-4-ylphenyl)quinolin-4-amine
CID 118364941
2-(2-bromo-4-phenylphenoxy)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 4960655
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
N-(3,4-dimethylphenyl)-4-(4-morpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2837328
6-tert-butylsulfonyl-N-(3-fluoro-2H-indazol-6-yl)quinolin-4-amine
CID 67468809
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (CID 134154155) is N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(Nc4ccc5n[nH]nc5c4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The InChIKey is OWHAYKXQTXQQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c32-35(33,31-11-13-34-14-12-31)20-5-1-17(2-6-20)18-3-7-22-21(15-18)23(9-10-26-22)27-19-4-8-24-25(16-19)29-30-28-24/h1-10,15-16H,11-14H2,(H,26,27)(H,28,29,30).
What are the key properties of N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine has a molecular weight of 486.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 134154155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).