4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide

C35H30F3N7O6S2 — CID 66973980

IUPAC4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cc(F)cc(F)c3)c(C(N)=O)cnc12.Cc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C18H15F2N3O3S.C17H15FN4O3S/c1-9-3-13(27(2,25)26)7-14-16(9)22-8-15(18(21)24)17(14)23-12-5-10(19)4-11(20)6-12;1-9-3-12(26(2,24)25)5-13-15(9)21-8-14(17(19)23)16(13)22-11-4-10(18)6-20-7-11/h3-8H,1-2H3,(H2,21,24)(H,22,23);3-8H,1-2H3,(H2,19,23)(H,21,22)
InChIKeyKILMLCQDWDQLLE-UHFFFAOYSA-N
MW765.80 g/mol
LogP5.39
Rot. Bonds8

About 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide

4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 66973980) has the molecular formula C35H30F3N7O6S2 and a molecular weight of 765.80 g/mol. Its IUPAC name is 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID66973980
Molecular FormulaC35H30F3N7O6S2
Molecular Weight765.80 g/mol
Exact Mass765.17
IUPAC Name4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cc(F)cc(F)c3)c(C(N)=O)cnc12.Cc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C18H15F2N3O3S.C17H15FN4O3S/c1-9-3-13(27(2,25)26)7-14-16(9)22-8-15(18(21)24)17(14)23-12-5-10(19)4-11(20)6-12;1-9-3-12(26(2,24)25)5-13-15(9)21-8-14(17(19)23)16(13)22-11-4-10(18)6-20-7-11/h3-8H,1-2H3,(H2,21,24)(H,22,23);3-8H,1-2H3,(H2,19,23)(H,21,22)
InChIKeyKILMLCQDWDQLLE-UHFFFAOYSA-N
XLogP5.39
TPSA217.19 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500765.80
LogP ≤ 55.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
CID 16666200
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11350199
4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide
CID 58826185
6-tert-butylsulfonyl-8-chloro-4-[(5-chloro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-8-chloro-4-[(5-fluoro-3-pyridinyl)amino]quinoline-3-carboxamide;6-tert-butylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide;8-chloro-4-[(5-fluoro-3-pyridinyl)amino]-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-6-ethylsulfonyl-8-methylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propan-2-ylsulfonylquinoline-3-carboxamide;4-[(5-chloro-3-pyridinyl)amino]-8-methyl-6-propylsulfonylquinoline-3-carboxamide;6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
CID 173035698
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250
4-[(5-cyano-3-pyridinyl)amino]-8-methyl-6-methylsulfonylcinnoline-3-carboxamide
CID 16666124
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4-(3,5-difluoroanilino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570972
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11156025
4-(2,3-dihydro-1-benzofuran-4-ylamino)-8-fluoro-6-methylsulfonylquinoline-3-carboxamide
CID 11269607
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide;hydrochloride
CID 67424115
8-chloro-4-[(1-methylindazol-6-yl)amino]-6-methylsulfonylquinoline-3-carboxamide
CID 11270352

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide (CID 66973980) is 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide is Cc1cc(S(C)(=O)=O)cc2c(Nc3cc(F)cc(F)c3)c(C(N)=O)cnc12.Cc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12.
What is the InChIKey of 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is KILMLCQDWDQLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S.C17H15FN4O3S/c1-9-3-13(27(2,25)26)7-14-16(9)22-8-15(18(21)24)17(14)23-12-5-10(19)4-11(20)6-12;1-9-3-12(26(2,24)25)5-13-15(9)21-8-14(17(19)23)16(13)22-11-4-10(18)6-20-7-11/h3-8H,1-2H3,(H2,21,24)(H,22,23);3-8H,1-2H3,(H2,19,23)(H,21,22).
What are the key properties of 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 765.80 g/mol, XLogP of 5.39, 8 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 66973980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).