7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide

C25H28FN3O4S — CID 39093175

IUPAC7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c2ccc(F)cc2n1
InChIInChI=1S/C25H28FN3O4S/c1-16(2)33-24-10-8-19(34(31,32)29-11-5-4-6-12-29)15-23(24)28-25(30)21-13-17(3)27-22-14-18(26)7-9-20(21)22/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,28,30)
InChIKeyYNEPBLUUVZHRAN-UHFFFAOYSA-N
MW485.58 g/mol
LogP4.90
Rot. Bonds6

About 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide

7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide (PubChem CID 39093175) has the molecular formula C25H28FN3O4S and a molecular weight of 485.58 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide
PubChem CID39093175
Molecular FormulaC25H28FN3O4S
Molecular Weight485.58 g/mol
Exact Mass485.18
IUPAC Name7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c2ccc(F)cc2n1
InChIInChI=1S/C25H28FN3O4S/c1-16(2)33-24-10-8-19(34(31,32)29-11-5-4-6-12-29)15-23(24)28-25(30)21-13-17(3)27-22-14-18(26)7-9-20(21)22/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,28,30)
InChIKeyYNEPBLUUVZHRAN-UHFFFAOYSA-N
XLogP4.90
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.58
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide (CID 39093175) is 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
The InChIKey is YNEPBLUUVZHRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4S/c1-16(2)33-24-10-8-19(34(31,32)29-11-5-4-6-12-29)15-23(24)28-25(30)21-13-17(3)27-22-14-18(26)7-9-20(21)22/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,28,30).
What are the key properties of 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide?
7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 39093175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).