4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide

C18H14N4O3S — CID 11314577

IUPAC4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C#N)c3)c2c1
InChIInChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22)
InChIKeyMXGXXUDJDPPFAZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.35
Rot. Bonds4

About 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide

4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11314577) has the molecular formula C18H14N4O3S and a molecular weight of 366.40 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11314577
Molecular FormulaC18H14N4O3S
Molecular Weight366.40 g/mol
Exact Mass366.08
IUPAC Name4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C#N)c3)c2c1
InChIInChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22)
InChIKeyMXGXXUDJDPPFAZ-UHFFFAOYSA-N
XLogP2.35
TPSA125.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Cyanoanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11406358
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
2-methylsulfonyl-N-quinolin-5-ylbenzamide
CID 2474595
4-(3-Chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11394750
6-(Benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
CID 11430281
cFMS Receptor Inhibitor III
CID 25021199
4-[3-(Aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
4-(3-chloro-N-methylanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 44564844
4-(4-Fluorophenylamino)-7-(4-(methylsulfonyl)phenyl)quinoline-3-carboxamide
CID 11328012
4-(4-(Methylthio)phenylamino)-7-(pyridin-4-yl)quinoline-3-carboxamide
CID 44444456
7-(4-Cyanophenyl)-4-(phenylamino)quinoline-3-carboxamide
CID 44444498
7-(4-(Methylsulfonamido)phenyl)-4-(phenylamino)quinoline-3-carboxamide
CID 44444541

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11314577) is 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide is CS(=O)(=O)c1ccc2ncc(C(N)=O)c(Nc3cccc(C#N)c3)c2c1.
What is the InChIKey of 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is MXGXXUDJDPPFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3S/c1-26(24,25)13-5-6-16-14(8-13)17(15(10-21-16)18(20)23)22-12-4-2-3-11(7-12)9-19/h2-8,10H,1H3,(H2,20,23)(H,21,22).
What are the key properties of 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide?
4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11314577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).