2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

C27H21N5O4S — CID 2330731

IUPAC2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H21N5O4S/c1-36-20-11-7-18(8-12-20)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-19-9-13-21(14-10-19)37(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32)
InChIKeyKZUBDNGKPYBRMI-UHFFFAOYSA-N
MW511.56 g/mol
LogP4.75
Rot. Bonds7

About 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide

2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (PubChem CID 2330731) has the molecular formula C27H21N5O4S and a molecular weight of 511.56 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
PubChem CID2330731
Molecular FormulaC27H21N5O4S
Molecular Weight511.56 g/mol
Exact Mass511.13
IUPAC Name2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H21N5O4S/c1-36-20-11-7-18(8-12-20)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-19-9-13-21(14-10-19)37(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32)
InChIKeyKZUBDNGKPYBRMI-UHFFFAOYSA-N
XLogP4.75
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[7-(2,4-Dimethoxypyrimidin-5-Yl)-3-Sulfamoylquinolin-4-Yl]amino}benzoic Acid
CID 57334939
3,4-dimethoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1048934
3-methoxy-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}benzamide
CID 1219917
5-Methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,23,25-hexazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one
CID 71041625
5-Methoxy-8,8-dioxo-8lambda6-thia-4,7,15,23,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22,24,26(30),27-tetradecaen-14-one
CID 71042066
17-Methoxy-14,14-dioxo-14lambda6-thia-2,7,15,18,25,27-hexazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(27),9(31),10,12,16,18,20(30),21(29),22,24(28),25-undecaen-8-one
CID 71042084
Methyl 3-[[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]quinazolin-4-yl]amino]benzoate
CID 145964323
2-(4-Methoxy-phenyl)-N-[4-(4-methyl-pyrimidin-2-ylsulfamoyl)-phenyl]-acetamide
CID 1150931
N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1191580
Ethyl 6,8-dimethyl-4-({4-[(2-pyrimidinylamino)sulfonyl]phenyl}amino)-3-quinolinecarboxylate
CID 1191916
N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-2-phenylquinoline-4-carboxamide
CID 1212428
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 2331806

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide (CID 2330731) is 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
The InChIKey is KZUBDNGKPYBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O4S/c1-36-20-11-7-18(8-12-20)25-17-23(22-5-2-3-6-24(22)31-25)26(33)30-19-9-13-21(14-10-19)37(34,35)32-27-28-15-4-16-29-27/h2-17H,1H3,(H,30,33)(H,28,29,32).
What are the key properties of 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide?
2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 2330731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).