7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

C24H27FN6O3S — CID 17028123

IUPAC7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nnc(C(C)C)s2)cn3C2CC2)CC1
InChIInChI=1S/C24H27FN6O3S/c1-13(2)23-27-28-24(35-23)26-22(34)17-12-31(15-4-5-15)19-11-20(18(25)10-16(19)21(17)33)30-8-6-29(7-9-30)14(3)32/h10-13,15H,4-9H2,1-3H3,(H,26,28,34)
InChIKeyZKCJWKXRCWVHRU-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.37
Rot. Bonds5

About 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide

7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (PubChem CID 17028123) has the molecular formula C24H27FN6O3S and a molecular weight of 498.58 g/mol. Its IUPAC name is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
PubChem CID17028123
Molecular FormulaC24H27FN6O3S
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
SMILESCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nnc(C(C)C)s2)cn3C2CC2)CC1
InChIInChI=1S/C24H27FN6O3S/c1-13(2)23-27-28-24(35-23)26-22(34)17-12-31(15-4-5-15)19-11-20(18(25)10-16(19)21(17)33)30-8-6-29(7-9-30)14(3)32/h10-13,15H,4-9H2,1-3H3,(H,26,28,34)
InChIKeyZKCJWKXRCWVHRU-UHFFFAOYSA-N
XLogP3.37
TPSA100.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide 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-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The IUPAC name of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide (CID 17028123) is 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)Nc2nnc(C(C)C)s2)cn3C2CC2)CC1.
What is the InChIKey of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
The InChIKey is ZKCJWKXRCWVHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3S/c1-13(2)23-27-28-24(35-23)26-22(34)17-12-31(15-4-5-15)19-11-20(18(25)10-16(19)21(17)33)30-8-6-29(7-9-30)14(3)32/h10-13,15H,4-9H2,1-3H3,(H,26,28,34).
What are the key properties of 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide?
7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 17028123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).