(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone

C26H24N4O3S — CID 17430035

IUPAC(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O3S/c31-26(29-14-16-30(17-15-29)34(32,33)19-20-8-2-1-3-9-20)22-18-25(24-12-6-7-13-27-24)28-23-11-5-4-10-21(22)23/h1-13,18H,14-17,19H2
InChIKeyNVPXJTIVJUDATE-UHFFFAOYSA-N
MW472.57 g/mol
LogP3.58
Rot. Bonds5

About (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone

(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone (PubChem CID 17430035) has the molecular formula C26H24N4O3S and a molecular weight of 472.57 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
PubChem CID17430035
Molecular FormulaC26H24N4O3S
Molecular Weight472.57 g/mol
Exact Mass472.16
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O3S/c31-26(29-14-16-30(17-15-29)34(32,33)19-20-8-2-1-3-9-20)22-18-25(24-12-6-7-13-27-24)28-23-11-5-4-10-21(22)23/h1-13,18H,14-17,19H2
InChIKeyNVPXJTIVJUDATE-UHFFFAOYSA-N
XLogP3.58
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-1-yl-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 13336341
(4-pyridin-2-ylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 27255529
4-methyl-5-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615985
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone
CID 39036597
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
N,N-diethyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-sulfonamide
CID 24584448
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-pyridin-2-ylquinoline-4-carbonyl)piperazin-1-yl]ethanone
CID 166199749
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805305
N'-[3-(methylsulfonylmethyl)benzoyl]-2-pyridin-2-ylquinoline-4-carbohydrazide
CID 27680084
(4-butylpiperazin-1-yl)-(6-methyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 17126635
azepan-1-yl-(6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinolin-4-yl)methanone
CID 3580966

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone (CID 17430035) is (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone?
The InChIKey is NVPXJTIVJUDATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3S/c31-26(29-14-16-30(17-15-29)34(32,33)19-20-8-2-1-3-9-20)22-18-25(24-12-6-7-13-27-24)28-23-11-5-4-10-21(22)23/h1-13,18H,14-17,19H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone?
(4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone has a molecular weight of 472.57 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone is sourced from PubChem (CID 17430035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).