N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

C27H24ClN3O4S — CID 4638958

IUPACN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-6-8-19(9-7-18)25-17-22(21-4-2-3-5-24(21)29-25)27(32)30-26-16-20(10-11-23(26)28)36(33,34)31-12-14-35-15-13-31/h2-11,16-17H,12-15H2,1H3,(H,30,32)
InChIKeyYQCHBOOUPQESBM-UHFFFAOYSA-N
MW522.03 g/mol
LogP5.14
Rot. Bonds5

About N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide

N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 4638958) has the molecular formula C27H24ClN3O4S and a molecular weight of 522.03 g/mol. Its IUPAC name is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID4638958
Molecular FormulaC27H24ClN3O4S
Molecular Weight522.03 g/mol
Exact Mass521.12
IUPAC NameN-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C27H24ClN3O4S/c1-18-6-8-19(9-7-18)25-17-22(21-4-2-3-5-24(21)29-25)27(32)30-26-16-20(10-11-23(26)28)36(33,34)31-12-14-35-15-13-31/h2-11,16-17H,12-15H2,1H3,(H,30,32)
InChIKeyYQCHBOOUPQESBM-UHFFFAOYSA-N
XLogP5.14
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.03
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-6-phenylpyridine-3-carboxamide
CID 24529088
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 5211935
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-methylfuran-2-carboxamide
CID 108791562
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2,3,4,5-tetrafluorobenzamide
CID 4641528
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-pyridin-4-ylquinoline-4-carboxylate
CID 23905521
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
2,6-dimethyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)quinoline-3-carboxamide
CID 55466253
4-methyl-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 26520994
N'-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N-(2-hydroxyphenyl)oxamide
CID 108514243

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide (CID 4638958) is N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is YQCHBOOUPQESBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN3O4S/c1-18-6-8-19(9-7-18)25-17-22(21-4-2-3-5-24(21)29-25)27(32)30-26-16-20(10-11-23(26)28)36(33,34)31-12-14-35-15-13-31/h2-11,16-17H,12-15H2,1H3,(H,30,32).
What are the key properties of N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide?
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 522.03 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4638958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).