3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide

C19H23N5O2S — CID 99817276

IUPAC3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cccc2c1
InChIInChI=1S/C19H23N5O2S/c1-14-9-15-5-3-7-18(19(15)20-10-14)27(25,26)22-16-6-4-8-24(12-16)17-11-21-23(2)13-17/h3,5,7,9-11,13,16,22H,4,6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyAGZGHOVCNVNIKG-MRXNPFEDSA-N
MW385.49 g/mol
LogP2.22
Rot. Bonds4

About 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide

3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide (PubChem CID 99817276) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide
PubChem CID99817276
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cccc2c1
InChIInChI=1S/C19H23N5O2S/c1-14-9-15-5-3-7-18(19(15)20-10-14)27(25,26)22-16-6-4-8-24(12-16)17-11-21-23(2)13-17/h3,5,7,9-11,13,16,22H,4,6,8,12H2,1-2H3/t16-/m1/s1
InChIKeyAGZGHOVCNVNIKG-MRXNPFEDSA-N
XLogP2.22
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide?
The IUPAC name of 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide (CID 99817276) is 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide.
What is the SMILES notation for 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide?
The canonical SMILES for 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)cccc2c1.
What is the InChIKey of 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide?
The InChIKey is AGZGHOVCNVNIKG-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-14-9-15-5-3-7-18(19(15)20-10-14)27(25,26)22-16-6-4-8-24(12-16)17-11-21-23(2)13-17/h3,5,7,9-11,13,16,22H,4,6,8,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide?
3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide has a molecular weight of 385.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 99817276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).