2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine

C16H19ClN4 — CID 103964573

IUPAC2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(CCCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H19ClN4/c1-20(2)9-10-21-15(7-8-17)19-14-11-18-13-6-4-3-5-12(13)16(14)21/h3-6,11H,7-10H2,1-2H3
InChIKeyNEUUXHIGQHZDDN-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.93
Rot. Bonds5

About 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine

2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine (PubChem CID 103964573) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
PubChem CID103964573
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1c(CCCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H19ClN4/c1-20(2)9-10-21-15(7-8-17)19-14-11-18-13-6-4-3-5-12(13)16(14)21/h3-6,11H,7-10H2,1-2H3
InChIKeyNEUUXHIGQHZDDN-UHFFFAOYSA-N
XLogP2.93
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
3-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 115552736
4-(2-butylimidazo[4,5-c]quinolin-1-yl)butan-1-amine
CID 141029789
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
4-(2-ethylimidazo[4,5-c]quinolin-1-yl)butanal
CID 86626643
2-(2-methoxyethyl)-1-[2-(3-phenylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254453
2-(2-methoxyethyl)-1-[2-(3-phenylpropoxy)ethyl]imidazo[4,5-c]quinoline
CID 22254480
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688
ethyl 6-(2-propylimidazo[4,5-c]quinolin-1-yl)hexanoate
CID 57447018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine (CID 103964573) is 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine is CN(C)CCn1c(CCCl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine?
The InChIKey is NEUUXHIGQHZDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-20(2)9-10-21-15(7-8-17)19-14-11-18-13-6-4-3-5-12(13)16(14)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine?
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine has a molecular weight of 302.81 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 103964573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).