N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride

C26H26ClN3O2S — CID 68776069

IUPACN-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1.Cl
InChIInChI=1S/C26H25N3O2S.ClH/c1-19-16-26(29-15-14-21(18-29)20-8-4-2-5-9-20)24-17-22(12-13-25(24)27-19)28-32(30,31)23-10-6-3-7-11-23;/h2-13,16-17,21,28H,14-15,18H2,1H3;1H
InChIKeyNTACJKKBOZQUFG-UHFFFAOYSA-N
MW480.03 g/mol
LogP5.76
Rot. Bonds5

About N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride

N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride (PubChem CID 68776069) has the molecular formula C26H26ClN3O2S and a molecular weight of 480.03 g/mol. Its IUPAC name is N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
PubChem CID68776069
Molecular FormulaC26H26ClN3O2S
Molecular Weight480.03 g/mol
Exact Mass479.14
IUPAC NameN-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride
SMILESCc1cc(N2CCC(c3ccccc3)C2)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1.Cl
InChIInChI=1S/C26H25N3O2S.ClH/c1-19-16-26(29-15-14-21(18-29)20-8-4-2-5-9-20)24-17-22(12-13-25(24)27-19)28-32(30,31)23-10-6-3-7-11-23;/h2-13,16-17,21,28H,14-15,18H2,1H3;1H
InChIKeyNTACJKKBOZQUFG-UHFFFAOYSA-N
XLogP5.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.03
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-amine
CID 25116797
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
5-methyl-N-[2-methyl-4-[(3R)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]-1H-pyrazole-3-carboxamide
CID 90900930
2-(3-methyl-1,2-oxazol-5-yl)-N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]acetamide
CID 25116573
pyrazin-2-yl N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]carbamate
CID 130220938
5-methyl-1-[2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinolin-6-yl]pyrazole-3-carboxamide
CID 172840492
4-[1-(2-methyl-6-phenoxyquinolin-4-yl)pyrrolidin-3-yl]aniline
CID 175264996
N-[3-(1-methylpiperidin-4-yl)-2H-indazol-5-yl]benzenesulfonamide
CID 11566896
N-[3-chloro-2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzamide;hydrochloride
CID 142764266
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride (CID 68776069) is N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride is Cc1cc(N2CCC(c3ccccc3)C2)c2cc(NS(=O)(=O)c3ccccc3)ccc2n1.Cl.
What is the InChIKey of N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride?
The InChIKey is NTACJKKBOZQUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2S.ClH/c1-19-16-26(29-15-14-21(18-29)20-8-4-2-5-9-20)24-17-22(12-13-25(24)27-19)28-32(30,31)23-10-6-3-7-11-23;/h2-13,16-17,21,28H,14-15,18H2,1H3;1H.
What are the key properties of N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride?
N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride has a molecular weight of 480.03 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-phenylpyrrolidin-1-yl)quinolin-6-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 68776069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).