(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone

C23H21F2N3O3S — CID 31425869

IUPAC(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H21F2N3O3S/c24-16-7-8-22(19(25)13-16)32(30,31)28-11-9-27(10-12-28)23(29)18-14-21(15-5-6-15)26-20-4-2-1-3-17(18)20/h1-4,7-8,13-15H,5-6,9-12H2
InChIKeyAUIWFBACXMIKDZ-UHFFFAOYSA-N
MW457.50 g/mol
LogP3.54
Rot. Bonds4

About (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone

(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 31425869) has the molecular formula C23H21F2N3O3S and a molecular weight of 457.50 g/mol. Its IUPAC name is (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID31425869
Molecular FormulaC23H21F2N3O3S
Molecular Weight457.50 g/mol
Exact Mass457.13
IUPAC Name(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H21F2N3O3S/c24-16-7-8-22(19(25)13-16)32(30,31)28-11-9-27(10-12-28)23(29)18-14-21(15-5-6-15)26-20-4-2-1-3-17(18)20/h1-4,7-8,13-15H,5-6,9-12H2
InChIKeyAUIWFBACXMIKDZ-UHFFFAOYSA-N
XLogP3.54
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 55403182
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-phenylmethanone
CID 17455845
(2-cyclopropylquinolin-4-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78794847
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 4807266
(4-aminopiperidin-1-yl)-(2-cyclopropylquinolin-4-yl)methanone;dihydrochloride
CID 119374525
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 30702624
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
3-[4-[4-(2,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]quinazolin-4-one
CID 39966533
(2-cyclopropylquinolin-4-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119645943
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 26814306
[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone (CID 31425869) is (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone is O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is AUIWFBACXMIKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3S/c24-16-7-8-22(19(25)13-16)32(30,31)28-11-9-27(10-12-28)23(29)18-14-21(15-5-6-15)26-20-4-2-1-3-17(18)20/h1-4,7-8,13-15H,5-6,9-12H2.
What are the key properties of (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone?
(2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 457.50 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylquinolin-4-yl)-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 31425869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).