7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide

C24H29N5O4S — CID 118094012

IUPAC7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)N2CCNCC2)c2cccnc2c1
InChIInChI=1S/C24H29N5O4S/c1-15-23(16(2)33-27-15)17-13-21-18(6-4-8-26-21)22(14-17)34(31,32)28-20-7-3-5-19(20)24(30)29-11-9-25-10-12-29/h4,6,8,13-14,19-20,25,28H,3,5,7,9-12H2,1-2H3/t19-,20-/m1/s1
InChIKeyUOYJYWJKAXBAHO-WOJBJXKFSA-N
MW483.59 g/mol
LogP2.39
Rot. Bonds5

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide

7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide (PubChem CID 118094012) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide
PubChem CID118094012
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide
SMILESCc1noc(C)c1-c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)N2CCNCC2)c2cccnc2c1
InChIInChI=1S/C24H29N5O4S/c1-15-23(16(2)33-27-15)17-13-21-18(6-4-8-26-21)22(14-17)34(31,32)28-20-7-3-5-19(20)24(30)29-11-9-25-10-12-29/h4,6,8,13-14,19-20,25,28H,3,5,7,9-12H2,1-2H3/t19-,20-/m1/s1
InChIKeyUOYJYWJKAXBAHO-WOJBJXKFSA-N
XLogP2.39
TPSA117.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide?
The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide (CID 118094012) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide.
What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide?
The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide is Cc1noc(C)c1-c1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)N2CCNCC2)c2cccnc2c1.
What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide?
The InChIKey is UOYJYWJKAXBAHO-WOJBJXKFSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-15-23(16(2)33-27-15)17-13-21-18(6-4-8-26-21)22(14-17)34(31,32)28-20-7-3-5-19(20)24(30)29-11-9-25-10-12-29/h4,6,8,13-14,19-20,25,28H,3,5,7,9-12H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide?
7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide has a molecular weight of 483.59 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R)-2-(piperazine-1-carbonyl)cyclopentyl]quinoline-5-sulfonamide is sourced from PubChem (CID 118094012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).