4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

C19H12ClFN4OS — CID 44532635

IUPAC4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cncs3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H12ClFN4OS/c20-14-6-11(2-3-15(14)21)25-18-12-5-10(17-8-23-9-27-17)1-4-16(12)24-7-13(18)19(22)26/h1-9H,(H2,22,26)(H,24,25)
InChIKeyVUHUFXYMOCQDNL-UHFFFAOYSA-N
MW398.85 g/mol
LogP4.99
Rot. Bonds4

About 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide

4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (PubChem CID 44532635) has the molecular formula C19H12ClFN4OS and a molecular weight of 398.85 g/mol. Its IUPAC name is 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
PubChem CID44532635
Molecular FormulaC19H12ClFN4OS
Molecular Weight398.85 g/mol
Exact Mass398.04
IUPAC Name4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3cncs3)cc2c1Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H12ClFN4OS/c20-14-6-11(2-3-15(14)21)25-18-12-5-10(17-8-23-9-27-17)1-4-16(12)24-7-13(18)19(22)26/h1-9H,(H2,22,26)(H,24,25)
InChIKeyVUHUFXYMOCQDNL-UHFFFAOYSA-N
XLogP4.99
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide (CID 44532635) is 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is NC(=O)c1cnc2ccc(-c3cncs3)cc2c1Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
The InChIKey is VUHUFXYMOCQDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4OS/c20-14-6-11(2-3-15(14)21)25-18-12-5-10(17-8-23-9-27-17)1-4-16(12)24-7-13(18)19(22)26/h1-9H,(H2,22,26)(H,24,25).
What are the key properties of 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide?
4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 4.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluoroanilino)-6-(1,3-thiazol-5-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44532635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).