4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine

C15H13ClFN3S — CID 133299096

IUPAC4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine
SMILESCc1nc(CN(C)c2ccc3c(Cl)ccnc3c2F)cs1
InChIInChI=1S/C15H13ClFN3S/c1-9-19-10(8-21-9)7-20(2)13-4-3-11-12(16)5-6-18-15(11)14(13)17/h3-6,8H,7H2,1-2H3
InChIKeyRORAXQIOFFVGLB-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.43
Rot. Bonds3

About 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine

4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine (PubChem CID 133299096) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine.

Molecular Properties

Compound Name4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine
PubChem CID133299096
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine
SMILESCc1nc(CN(C)c2ccc3c(Cl)ccnc3c2F)cs1
InChIInChI=1S/C15H13ClFN3S/c1-9-19-10(8-21-9)7-20(2)13-4-3-11-12(16)5-6-18-15(11)14(13)17/h3-6,8H,7H2,1-2H3
InChIKeyRORAXQIOFFVGLB-UHFFFAOYSA-N
XLogP4.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine?
The IUPAC name of 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine (CID 133299096) is 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine.
What is the SMILES notation for 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine?
The canonical SMILES for 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine is Cc1nc(CN(C)c2ccc3c(Cl)ccnc3c2F)cs1.
What is the InChIKey of 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine?
The InChIKey is RORAXQIOFFVGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-9-19-10(8-21-9)7-20(2)13-4-3-11-12(16)5-6-18-15(11)14(13)17/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine?
4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine has a molecular weight of 321.81 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-fluoro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-7-amine is sourced from PubChem (CID 133299096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).