2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride

C16H19Cl2N7 — CID 156756381

IUPAC2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
SMILESCCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Cl.Cl
InChIInChI=1S/C16H17N7.2ClH/c1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;;/h3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);2*1H
InChIKeyMXNSEMCHKJJGLK-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.04
Rot. Bonds4

About 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride

2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride (PubChem CID 156756381) has the molecular formula C16H19Cl2N7 and a molecular weight of 380.28 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride.

Molecular Properties

Compound Name2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
PubChem CID156756381
Molecular FormulaC16H19Cl2N7
Molecular Weight380.28 g/mol
Exact Mass379.11
IUPAC Name2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride
SMILESCCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Cl.Cl
InChIInChI=1S/C16H17N7.2ClH/c1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;;/h3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);2*1H
InChIKeyMXNSEMCHKJJGLK-UHFFFAOYSA-N
XLogP3.04
TPSA108.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]propan-1-ol
CID 138584377
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea
CID 161173481
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-3-hydroxy-3-methylbutanamide
CID 135307726
7-(1H-pyrazol-5-yl)-2-(pyrrolidin-3-ylmethyl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369174
tert-butyl N-[(4-amino-7-bromo-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-N-ethylcarbamate;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 162153556
1-[(2S)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 169316681
2-[(3-methylidenemorpholin-4-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;2-[(2-methylidenepiperidin-1-yl)methyl]-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine
CID 160902821
tert-butyl (2R)-2-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]pyrrolidine-1-carboxylate
CID 165369182
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethyl-1,6-dimethyl-6,7-dihydroindole-3-carboxamide
CID 155420715
7-(1H-pyrazol-5-yl)-2-[(3R)-pyrrolidin-3-yl]-3H-imidazo[4,5-c]quinolin-4-amine
CID 165369144
N-[2-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]ethyl]acetamide
CID 159427333
N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]acetamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylacetamide;1-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-1-ethyl-3,3-dimethylurea;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylpropanamide;N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]propanamide;tert-butyl N-[[4-amino-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylcarbamate
CID 167709960

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride?
The IUPAC name of 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride (CID 156756381) is 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride.
What is the SMILES notation for 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride?
The canonical SMILES for 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride is CCNCc1nc2c([nH]1)c(N)nc1cc(-c3ccn[nH]3)ccc12.Cl.Cl.
What is the InChIKey of 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride?
The InChIKey is MXNSEMCHKJJGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7.2ClH/c1-2-18-8-13-21-14-10-4-3-9(11-5-6-19-23-11)7-12(10)20-16(17)15(14)22-13;;/h3-7,18H,2,8H2,1H3,(H2,17,20)(H,19,23)(H,21,22);2*1H.
What are the key properties of 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride?
2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride has a molecular weight of 380.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-7-(1H-pyrazol-5-yl)-3H-imidazo[4,5-c]quinolin-4-amine;dihydrochloride is sourced from PubChem (CID 156756381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).