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

C17H15FN4O3S — CID 11314814

IUPAC4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C17H15FN4O3S/c1-9-3-12(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,(H2,19,23)(H,21,22)
InChIKeyUTRUFDYSKJPERE-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.32
Rot. Bonds4

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

4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11314814) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11314814
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C17H15FN4O3S/c1-9-3-12(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,(H2,19,23)(H,21,22)
InChIKeyUTRUFDYSKJPERE-UHFFFAOYSA-N
XLogP2.32
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.32
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
4-(3-Cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11314577
4-(3-Chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11394750
6-(Benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
CID 11430281
4-[3-(Aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
9-Amino-N-(2-(dimehtylamino)ethyl)-5-(methylsulfonyl)-4-acridinecarboxamide
CID 149735
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-(Methylsulfonyl)phenyl)-4-(phenylamino)quinoline-3-carboxamide
CID 44444551
4-(3-Fluoro-4-methylphenylamino)-7-(4-(methylsulfonyl)phenyl)quinoline-3-carboxamide
CID 44444552
4-(3,4-Difluorophenylamino)-7-(4-(methylsulfonyl)phenyl)quinoline-3-carboxamide
CID 44444553
6-Methylsulfonyl-4-(pyridin-3-ylamino)quinoline-3-carboxamide
CID 44564773

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide (CID 11314814) is 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide is Cc1cc(S(C)(=O)=O)cc2c(Nc3cncc(F)c3)c(C(N)=O)cnc12.
What is the InChIKey of 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is UTRUFDYSKJPERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-9-3-12(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,(H2,19,23)(H,21,22).
What are the key properties of 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11314814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).