6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine

C13H15BrN4 — CID 18177091

IUPAC6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)C1
InChIInChI=1S/C13H15BrN4/c14-10-1-2-13-9(3-10)4-11(15)6-18(13)7-12-5-16-8-17-12/h1-3,5,8,11H,4,6-7,15H2,(H,16,17)
InChIKeyVYFKMORZAJGGLS-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.06
Rot. Bonds2

About 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine

6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 18177091) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine
PubChem CID18177091
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)C1
InChIInChI=1S/C13H15BrN4/c14-10-1-2-13-9(3-10)4-11(15)6-18(13)7-12-5-16-8-17-12/h1-3,5,8,11H,4,6-7,15H2,(H,16,17)
InChIKeyVYFKMORZAJGGLS-UHFFFAOYSA-N
XLogP2.06
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine (CID 18177091) is 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine is NC1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)C1.
What is the InChIKey of 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is VYFKMORZAJGGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c14-10-1-2-13-9(3-10)4-11(15)6-18(13)7-12-5-16-8-17-12/h1-3,5,8,11H,4,6-7,15H2,(H,16,17).
What are the key properties of 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine?
6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 307.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 18177091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).