7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C15H12BrN3OS — CID 47062371

IUPAC7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2nccs2)c2ccc(Br)cc2n1
InChIInChI=1S/C15H12BrN3OS/c1-9-7-12(11-4-3-10(16)8-13(11)18-9)14(20)19(2)15-17-5-6-21-15/h3-8H,1-2H3
InChIKeyDZJACBCYTBUVLK-UHFFFAOYSA-N
MW362.25 g/mol
LogP4.04
Rot. Bonds2

About 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 47062371) has the molecular formula C15H12BrN3OS and a molecular weight of 362.25 g/mol. Its IUPAC name is 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID47062371
Molecular FormulaC15H12BrN3OS
Molecular Weight362.25 g/mol
Exact Mass360.99
IUPAC Name7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)c2nccs2)c2ccc(Br)cc2n1
InChIInChI=1S/C15H12BrN3OS/c1-9-7-12(11-4-3-10(16)8-13(11)18-9)14(20)19(2)15-17-5-6-21-15/h3-8H,1-2H3
InChIKeyDZJACBCYTBUVLK-UHFFFAOYSA-N
XLogP4.04
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 47062371) is 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is Cc1cc(C(=O)N(C)c2nccs2)c2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is DZJACBCYTBUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS/c1-9-7-12(11-4-3-10(16)8-13(11)18-9)14(20)19(2)15-17-5-6-21-15/h3-8H,1-2H3.
What are the key properties of 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 362.25 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,2-dimethyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 47062371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).