N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide

C24H27FN4O3S — CID 33298247

IUPACN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C24H27FN4O3S/c1-16-20(13-17-7-8-18(25)14-21(17)26-16)24(30)27-22-15-19(9-10-23(22)28(2)3)33(31,32)29-11-5-4-6-12-29/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,30)
InChIKeyZCPJTHXVDIKYNM-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide

N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 33298247) has the molecular formula C24H27FN4O3S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID33298247
Molecular FormulaC24H27FN4O3S
Molecular Weight470.57 g/mol
Exact Mass470.18
IUPAC NameN-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCc1nc2cc(F)ccc2cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C24H27FN4O3S/c1-16-20(13-17-7-8-18(25)14-21(17)26-16)24(30)27-22-15-19(9-10-23(22)28(2)3)33(31,32)29-11-5-4-6-12-29/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,30)
InChIKeyZCPJTHXVDIKYNM-UHFFFAOYSA-N
XLogP4.18
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55521747
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-(4-fluoro-2-methylphenyl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 26239904
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-4-nitrobenzamide
CID 4820711
2-bromo-4-fluoro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 29265094
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
4-(diethylaminomethyl)-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]benzamide
CID 55666676
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 55344900
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-2,7-dimethylquinoline-3-carboxamide
CID 55912071

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide (CID 33298247) is N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide is Cc1nc2cc(F)ccc2cc1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C.
What is the InChIKey of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is ZCPJTHXVDIKYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3S/c1-16-20(13-17-7-8-18(25)14-21(17)26-16)24(30)27-22-15-19(9-10-23(22)28(2)3)33(31,32)29-11-5-4-6-12-29/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide?
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 33298247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).