6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide

C18H17FN4O3S — CID 11165147

IUPAC6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1
InChIInChI=1S/C18H17FN4O3S/c1-3-27(25,26)13-4-10(2)16-14(6-13)17(15(9-22-16)18(20)24)23-12-5-11(19)7-21-8-12/h4-9H,3H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeySOCNKSCVGBTCDJ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.71
Rot. Bonds5

About 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide

6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide (PubChem CID 11165147) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
PubChem CID11165147
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide
SMILESCCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1
InChIInChI=1S/C18H17FN4O3S/c1-3-27(25,26)13-4-10(2)16-14(6-13)17(15(9-22-16)18(20)24)23-12-5-11(19)7-21-8-12/h4-9H,3H2,1-2H3,(H2,20,24)(H,22,23)
InChIKeySOCNKSCVGBTCDJ-UHFFFAOYSA-N
XLogP2.71
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide?
The IUPAC name of 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide (CID 11165147) is 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide.
What is the SMILES notation for 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide?
The canonical SMILES for 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide is CCS(=O)(=O)c1cc(C)c2ncc(C(N)=O)c(Nc3cncc(F)c3)c2c1.
What is the InChIKey of 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide?
The InChIKey is SOCNKSCVGBTCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-3-27(25,26)13-4-10(2)16-14(6-13)17(15(9-22-16)18(20)24)23-12-5-11(19)7-21-8-12/h4-9H,3H2,1-2H3,(H2,20,24)(H,22,23).
What are the key properties of 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide?
6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-4-[(5-fluoro-3-pyridinyl)amino]-8-methylquinoline-3-carboxamide is sourced from PubChem (CID 11165147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).