N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride

C20H29ClN4O2S — CID 146065089

IUPACN-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc2cccnc12)N(CCN1CCCCC1)C1CCNC1
InChIInChI=1S/C20H28N4O2S.ClH/c25-27(26,19-8-4-6-17-7-5-10-22-20(17)19)24(18-9-11-21-16-18)15-14-23-12-2-1-3-13-23;/h4-8,10,18,21H,1-3,9,11-16H2;1H
InChIKeyPLNCSQFGSBJZSA-UHFFFAOYSA-N
MW425.00 g/mol
LogP2.50
Rot. Bonds6

About N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride

N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride (PubChem CID 146065089) has the molecular formula C20H29ClN4O2S and a molecular weight of 425.00 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
PubChem CID146065089
Molecular FormulaC20H29ClN4O2S
Molecular Weight425.00 g/mol
Exact Mass424.17
IUPAC NameN-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(c1cccc2cccnc12)N(CCN1CCCCC1)C1CCNC1
InChIInChI=1S/C20H28N4O2S.ClH/c25-27(26,19-8-4-6-17-7-5-10-22-20(17)19)24(18-9-11-21-16-18)15-14-23-12-2-1-3-13-23;/h4-8,10,18,21H,1-3,9,11-16H2;1H
InChIKeyPLNCSQFGSBJZSA-UHFFFAOYSA-N
XLogP2.50
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.00
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride?
The IUPAC name of N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride (CID 146065089) is N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride is Cl.O=S(=O)(c1cccc2cccnc12)N(CCN1CCCCC1)C1CCNC1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride?
The InChIKey is PLNCSQFGSBJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S.ClH/c25-27(26,19-8-4-6-17-7-5-10-22-20(17)19)24(18-9-11-21-16-18)15-14-23-12-2-1-3-13-23;/h4-8,10,18,21H,1-3,9,11-16H2;1H.
What are the key properties of N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride?
N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride has a molecular weight of 425.00 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride is sourced from PubChem (CID 146065089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).