2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine

C17H21ClN4 — CID 174513407

IUPAC2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
SMILESCCCCc1nc2cnc3cccnc3c2n1CCCCCl
InChIInChI=1S/C17H21ClN4/c1-2-3-8-15-21-14-12-20-13-7-6-10-19-16(13)17(14)22(15)11-5-4-9-18/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyNEMLUAUFGVWBAV-UHFFFAOYSA-N
MW316.84 g/mol
LogP4.34
Rot. Bonds7

About 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine

2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine (PubChem CID 174513407) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine.

Molecular Properties

Compound Name2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
PubChem CID174513407
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC Name2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine
SMILESCCCCc1nc2cnc3cccnc3c2n1CCCCCl
InChIInChI=1S/C17H21ClN4/c1-2-3-8-15-21-14-12-20-13-7-6-10-19-16(13)17(14)22(15)11-5-4-9-18/h6-7,10,12H,2-5,8-9,11H2,1H3
InChIKeyNEMLUAUFGVWBAV-UHFFFAOYSA-N
XLogP4.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)ethyl]carbamate
CID 22172746
(E)-N-methoxy-4-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)butan-1-imine
CID 87867627
N-[3-[2-(chloromethyl)imidazo[4,5-c][1,5]naphthyridin-1-yl]propyl]methanesulfonamide
CID 66958603
2-[3-(2-propylimidazo[4,5-c][1,5]naphthyridin-1-yl)propoxy]isoindole-1,3-dione
CID 68540420
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
1-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]-3-butylurea
CID 10001667
N-[4-(4-amino-2-butylimidazo[4,5-c][1,5]naphthyridin-1-yl)butyl]acetamide
CID 20628617
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
1-(4-chlorobutyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 22320471
2-(4-chlorobutyl)-3-methylimidazo[4,5-b]pyridine
CID 63757289
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
tert-butyl N-[4-[2-[(1,3-dioxoisoindol-2-yl)methyl]imidazo[4,5-c][1,5]naphthyridin-1-yl]butyl]carbamate
CID 69317001

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine?
The IUPAC name of 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine (CID 174513407) is 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine.
What is the SMILES notation for 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine?
The canonical SMILES for 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine is CCCCc1nc2cnc3cccnc3c2n1CCCCCl.
What is the InChIKey of 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine?
The InChIKey is NEMLUAUFGVWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-2-3-8-15-21-14-12-20-13-7-6-10-19-16(13)17(14)22(15)11-5-4-9-18/h6-7,10,12H,2-5,8-9,11H2,1H3.
What are the key properties of 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine?
2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine has a molecular weight of 316.84 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(4-chlorobutyl)imidazo[4,5-c][1,5]naphthyridine is sourced from PubChem (CID 174513407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).