4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine

C18H12ClFN4S — CID 44532401

IUPAC4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)ccnc3c2)cs1
InChIInChI=1S/C18H12ClFN4S/c19-13-8-11(2-4-14(13)20)23-15-5-6-22-16-7-10(1-3-12(15)16)17-9-25-18(21)24-17/h1-9H,(H2,21,24)(H,22,23)
InChIKeyBOZMEPWADXXDBO-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.48
Rot. Bonds3

About 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine

4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine (PubChem CID 44532401) has the molecular formula C18H12ClFN4S and a molecular weight of 370.84 g/mol. Its IUPAC name is 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine
PubChem CID44532401
Molecular FormulaC18H12ClFN4S
Molecular Weight370.84 g/mol
Exact Mass370.05
IUPAC Name4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)ccnc3c2)cs1
InChIInChI=1S/C18H12ClFN4S/c19-13-8-11(2-4-14(13)20)23-15-5-6-22-16-7-10(1-3-12(15)16)17-9-25-18(21)24-17/h1-9H,(H2,21,24)(H,22,23)
InChIKeyBOZMEPWADXXDBO-UHFFFAOYSA-N
XLogP5.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine 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 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine (CID 44532401) is 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine is Nc1nc(-c2ccc3c(Nc4ccc(F)c(Cl)c4)ccnc3c2)cs1.
What is the InChIKey of 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine?
The InChIKey is BOZMEPWADXXDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN4S/c19-13-8-11(2-4-14(13)20)23-15-5-6-22-16-7-10(1-3-12(15)16)17-9-25-18(21)24-17/h1-9H,(H2,21,24)(H,22,23).
What are the key properties of 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine?
4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine has a molecular weight of 370.84 g/mol, XLogP of 5.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloro-4-fluoroanilino)quinolin-7-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 44532401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).