4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide

C18H17N5O3S — CID 46227760

IUPAC4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c1NNC(C(N)=O)=C2Nc1cccc(C#N)c1
InChIInChI=1S/C18H17N5O3S/c1-10-6-13(27(2,25)26)8-14-15(10)22-23-17(18(20)24)16(14)21-12-5-3-4-11(7-12)9-19/h3-8,21-23H,1-2H3,(H2,20,24)
InChIKeyFEBQLBUJHKWGKS-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.47
Rot. Bonds4

About 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide

4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide (PubChem CID 46227760) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide
PubChem CID46227760
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c1NNC(C(N)=O)=C2Nc1cccc(C#N)c1
InChIInChI=1S/C18H17N5O3S/c1-10-6-13(27(2,25)26)8-14-15(10)22-23-17(18(20)24)16(14)21-12-5-3-4-11(7-12)9-19/h3-8,21-23H,1-2H3,(H2,20,24)
InChIKeyFEBQLBUJHKWGKS-UHFFFAOYSA-N
XLogP1.47
TPSA137.11 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[4-[(3-cyanophenyl)sulfamoyl]-2-methylphenoxy]acetate
CID 100814404
4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
CID 16666124
(2S)-2-amino-N-(3-cyanophenyl)propanamide
CID 22690609
3-[[3-(2-ethyl-6-methylanilino)-1,2,4-triazin-5-yl]amino]benzonitrile
CID 112964604
5-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109243920
3-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 43257536
4-amino-N-(3-cyanophenyl)-2,6-dimethylbenzenesulfonamide
CID 79556049
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
[3-carbamoyl-4-(3-cyanoanilino)-8-methylquinolin-6-yl]methanesulfinate
CID 174515980
(2S)-2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(3-cyanophenyl)propanamide
CID 9274086
5-(3-cyanoanilino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109198246
5-(3-cyanoanilino)-2-(3-fluoro-5-methylanilino)pyridine-3-carboxamide
CID 165177918

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide?
The IUPAC name of 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide (CID 46227760) is 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide.
What is the SMILES notation for 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide?
The canonical SMILES for 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide is Cc1cc(S(C)(=O)=O)cc2c1NNC(C(N)=O)=C2Nc1cccc(C#N)c1.
What is the InChIKey of 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide?
The InChIKey is FEBQLBUJHKWGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-10-6-13(27(2,25)26)8-14-15(10)22-23-17(18(20)24)16(14)21-12-5-3-4-11(7-12)9-19/h3-8,21-23H,1-2H3,(H2,20,24).
What are the key properties of 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide?
4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.47, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanoanilino)-8-methyl-6-methylsulfonyl-1,2-dihydrocinnoline-3-carboxamide is sourced from PubChem (CID 46227760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).