7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine

C14H14BrClN4 — CID 67052287

IUPAC7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine
SMILESCC(C)Cn1c(CCl)nc2cnc3cc(Br)cnc3c21
InChIInChI=1S/C14H14BrClN4/c1-8(2)7-20-12(4-16)19-11-6-17-10-3-9(15)5-18-13(10)14(11)20/h3,5-6,8H,4,7H2,1-2H3
InChIKeyPZICWVNGWFWVGR-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.14
Rot. Bonds3

About 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine

7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine (PubChem CID 67052287) has the molecular formula C14H14BrClN4 and a molecular weight of 353.65 g/mol. Its IUPAC name is 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine.

Molecular Properties

Compound Name7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine
PubChem CID67052287
Molecular FormulaC14H14BrClN4
Molecular Weight353.65 g/mol
Exact Mass352.01
IUPAC Name7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine
SMILESCC(C)Cn1c(CCl)nc2cnc3cc(Br)cnc3c21
InChIInChI=1S/C14H14BrClN4/c1-8(2)7-20-12(4-16)19-11-6-17-10-3-9(15)5-18-13(10)14(11)20/h3,5-6,8H,4,7H2,1-2H3
InChIKeyPZICWVNGWFWVGR-UHFFFAOYSA-N
XLogP4.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine?
The IUPAC name of 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine (CID 67052287) is 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine.
What is the SMILES notation for 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine?
The canonical SMILES for 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine is CC(C)Cn1c(CCl)nc2cnc3cc(Br)cnc3c21.
What is the InChIKey of 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine?
The InChIKey is PZICWVNGWFWVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClN4/c1-8(2)7-20-12(4-16)19-11-6-17-10-3-9(15)5-18-13(10)14(11)20/h3,5-6,8H,4,7H2,1-2H3.
What are the key properties of 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine?
7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine has a molecular weight of 353.65 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(chloromethyl)-1-(2-methylpropyl)imidazo[4,5-c][1,5]naphthyridine is sourced from PubChem (CID 67052287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).