4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride

C18H17Cl2N3O3S — CID 118364925

IUPAC4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(-c2ccc3ncnc(Cl)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C18H16ClN3O3S.ClH/c19-18-16-11-14(3-6-17(16)20-12-21-18)13-1-4-15(5-2-13)26(23,24)22-7-9-25-10-8-22;/h1-6,11-12H,7-10H2;1H
InChIKeyAGMSNHBUNVEOLY-UHFFFAOYSA-N
MW426.33 g/mol
LogP3.39
Rot. Bonds3

About 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride

4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride (PubChem CID 118364925) has the molecular formula C18H17Cl2N3O3S and a molecular weight of 426.33 g/mol. Its IUPAC name is 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
PubChem CID118364925
Molecular FormulaC18H17Cl2N3O3S
Molecular Weight426.33 g/mol
Exact Mass425.04
IUPAC Name4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(-c2ccc3ncnc(Cl)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C18H16ClN3O3S.ClH/c19-18-16-11-14(3-6-17(16)20-12-21-18)13-1-4-15(5-2-13)26(23,24)22-7-9-25-10-8-22;/h1-6,11-12H,7-10H2;1H
InChIKeyAGMSNHBUNVEOLY-UHFFFAOYSA-N
XLogP3.39
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine
CID 71661881
N-(2H-benzotriazol-5-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
CID 134154155
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 117058420
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
N-[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-6-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 71663311
6-morpholin-4-ylsulfonylquinoline-3,4-dicarboxylic acid
CID 11682116
5-morpholin-4-ylsulfonylpyridine-2-thiolate
CID 7063956
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
2-(2-chloro-4-morpholin-4-ylsulfonylphenoxy)acetate
CID 7457826
4-(4-methylsulfanylphenyl)sulfonylmorpholine
CID 967774
4-[4-(7-chloroquinolin-4-yl)oxyphenyl]sulfonylmorpholine
CID 9311294

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride?
The IUPAC name of 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride (CID 118364925) is 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride.
What is the SMILES notation for 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride?
The canonical SMILES for 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride is Cl.O=S(=O)(c1ccc(-c2ccc3ncnc(Cl)c3c2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride?
The InChIKey is AGMSNHBUNVEOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S.ClH/c19-18-16-11-14(3-6-17(16)20-12-21-18)13-1-4-15(5-2-13)26(23,24)22-7-9-25-10-8-22;/h1-6,11-12H,7-10H2;1H.
What are the key properties of 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride?
4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride has a molecular weight of 426.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloroquinazolin-6-yl)phenyl]sulfonylmorpholine;hydrochloride is sourced from PubChem (CID 118364925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).