3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide

C24H27ClN4O3S — CID 70005493

IUPAC3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide
SMILESCc1cc(N2CCC(NC(=O)CC(C)S(=O)(=O)c3ccc4cc(Cl)ccc4n3)CC2)ccn1
InChIInChI=1S/C24H27ClN4O3S/c1-16-13-21(7-10-26-16)29-11-8-20(9-12-29)27-23(30)14-17(2)33(31,32)24-6-3-18-15-19(25)4-5-22(18)28-24/h3-7,10,13,15,17,20H,8-9,11-12,14H2,1-2H3,(H,27,30)
InChIKeyBFKRVEUTQDDRQJ-UHFFFAOYSA-N
MW487.03 g/mol
LogP3.93
Rot. Bonds6

About 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide

3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide (PubChem CID 70005493) has the molecular formula C24H27ClN4O3S and a molecular weight of 487.03 g/mol. Its IUPAC name is 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide
PubChem CID70005493
Molecular FormulaC24H27ClN4O3S
Molecular Weight487.03 g/mol
Exact Mass486.15
IUPAC Name3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide
SMILESCc1cc(N2CCC(NC(=O)CC(C)S(=O)(=O)c3ccc4cc(Cl)ccc4n3)CC2)ccn1
InChIInChI=1S/C24H27ClN4O3S/c1-16-13-21(7-10-26-16)29-11-8-20(9-12-29)27-23(30)14-17(2)33(31,32)24-6-3-18-15-19(25)4-5-22(18)28-24/h3-7,10,13,15,17,20H,8-9,11-12,14H2,1-2H3,(H,27,30)
InChIKeyBFKRVEUTQDDRQJ-UHFFFAOYSA-N
XLogP3.93
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.03
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-N-methyl-2-phenylsulfanylacetamide
CID 42743666
1-[3-(Benzenesulfonyl)-6-chloroquinolin-4-yl]piperidine-4-carboxamide
CID 5640104
3-(Benzenesulfonyl)-6-chloro-4-(4-methylpiperidin-1-yl)quinoline
CID 5640145
2-(3-Chlorophenyl)-3-[3-[(7-chloroquinolin-4-yl)amino]propyl]-1,3-thiazinan-4-one
CID 137635050
3-[4-[(7-Chloroquinolin-4-yl)amino]butyl]-2-phenyl-1,3-thiazinan-4-one
CID 137638793
2-(3-Chlorophenyl)-3-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-1,3-thiazinan-4-one
CID 137640600
2-(3-Chlorophenyl)-3-[4-[(7-chloroquinolin-4-yl)amino]butyl]-1,3-thiazinan-4-one
CID 137641964
3-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-2-phenyl-1,3-thiazinan-4-one
CID 137642704
2-[(7-Chloro-1,2,3,4-tetrahydroacridin-9-YL)sulfanyl]-N-[(pyridin-2-YL)methyl]acetamide
CID 6622143
3-(Benzenesulfonyl)-6-chloro-4-(3-methylpiperidin-1-yl)quinoline
CID 16010889
1-[3-(4-Chlorobenzenesulfonyl)-6-fluoroquinolin-4-yl]piperidine-4-carboxamide
CID 5641692
3-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-2-ethyl-1,3-thiazinan-4-one
CID 72194997

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide?
The IUPAC name of 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide (CID 70005493) is 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide.
What is the SMILES notation for 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide?
The canonical SMILES for 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide is Cc1cc(N2CCC(NC(=O)CC(C)S(=O)(=O)c3ccc4cc(Cl)ccc4n3)CC2)ccn1.
What is the InChIKey of 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide?
The InChIKey is BFKRVEUTQDDRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3S/c1-16-13-21(7-10-26-16)29-11-8-20(9-12-29)27-23(30)14-17(2)33(31,32)24-6-3-18-15-19(25)4-5-22(18)28-24/h3-7,10,13,15,17,20H,8-9,11-12,14H2,1-2H3,(H,27,30).
What are the key properties of 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide?
3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide has a molecular weight of 487.03 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroquinolin-2-yl)sulfonyl-N-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]butanamide is sourced from PubChem (CID 70005493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).