N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide

C24H25N5O4S — CID 24732456

IUPACN-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide
SMILESCOc1ccnc(N2CCC(N(Cc3ccco3)S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C24H25N5O4S/c1-32-22-9-13-26-24(27-22)28-14-10-19(11-15-28)29(17-20-7-4-16-33-20)34(30,31)21-8-2-5-18-6-3-12-25-23(18)21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3
InChIKeyNQTKBFLUYYAVST-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.49
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide

N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide (PubChem CID 24732456) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide
PubChem CID24732456
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide
SMILESCOc1ccnc(N2CCC(N(Cc3ccco3)S(=O)(=O)c3cccc4cccnc34)CC2)n1
InChIInChI=1S/C24H25N5O4S/c1-32-22-9-13-26-24(27-22)28-14-10-19(11-15-28)29(17-20-7-4-16-33-20)34(30,31)21-8-2-5-18-6-3-12-25-23(18)21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3
InChIKeyNQTKBFLUYYAVST-UHFFFAOYSA-N
XLogP3.49
TPSA101.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide (CID 24732456) is N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide is COc1ccnc(N2CCC(N(Cc3ccco3)S(=O)(=O)c3cccc4cccnc34)CC2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide?
The InChIKey is NQTKBFLUYYAVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-32-22-9-13-26-24(27-22)28-14-10-19(11-15-28)29(17-20-7-4-16-33-20)34(30,31)21-8-2-5-18-6-3-12-25-23(18)21/h2-9,12-13,16,19H,10-11,14-15,17H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide?
N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide has a molecular weight of 479.56 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 24732456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).