6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine

C20H18BrN5 — CID 71871478

IUPAC6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCc1nc2ccc(Br)cc2c(NCc2ccc(-n3ccnc3)nc2)c1C
InChIInChI=1S/C20H18BrN5/c1-13-14(2)25-18-5-4-16(21)9-17(18)20(13)24-11-15-3-6-19(23-10-15)26-8-7-22-12-26/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyUAYREDRTGWHBOW-UHFFFAOYSA-N
MW408.30 g/mol
LogP4.81
Rot. Bonds4

About 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine

6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine (PubChem CID 71871478) has the molecular formula C20H18BrN5 and a molecular weight of 408.30 g/mol. Its IUPAC name is 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine
PubChem CID71871478
Molecular FormulaC20H18BrN5
Molecular Weight408.30 g/mol
Exact Mass407.07
IUPAC Name6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine
SMILESCc1nc2ccc(Br)cc2c(NCc2ccc(-n3ccnc3)nc2)c1C
InChIInChI=1S/C20H18BrN5/c1-13-14(2)25-18-5-4-16(21)9-17(18)20(13)24-11-15-3-6-19(23-10-15)26-8-7-22-12-26/h3-10,12H,11H2,1-2H3,(H,24,25)
InChIKeyUAYREDRTGWHBOW-UHFFFAOYSA-N
XLogP4.81
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine?
The IUPAC name of 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine (CID 71871478) is 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine.
What is the SMILES notation for 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine?
The canonical SMILES for 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine is Cc1nc2ccc(Br)cc2c(NCc2ccc(-n3ccnc3)nc2)c1C.
What is the InChIKey of 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine?
The InChIKey is UAYREDRTGWHBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN5/c1-13-14(2)25-18-5-4-16(21)9-17(18)20(13)24-11-15-3-6-19(23-10-15)26-8-7-22-12-26/h3-10,12H,11H2,1-2H3,(H,24,25).
What are the key properties of 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine?
6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine has a molecular weight of 408.30 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylquinolin-4-amine is sourced from PubChem (CID 71871478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).