N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine

C16H18N4O — CID 173186144

IUPACN-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine
SMILESCCC=Nn1c(COCC)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18N4O/c1-3-9-18-20-15(11-21-4-2)19-14-10-17-13-8-6-5-7-12(13)16(14)20/h5-10H,3-4,11H2,1-2H3
InChIKeyQKVKJFNSXZIGCC-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.36
Rot. Bonds5

About N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine

N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine (PubChem CID 173186144) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine
PubChem CID173186144
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine
SMILESCCC=Nn1c(COCC)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18N4O/c1-3-9-18-20-15(11-21-4-2)19-14-10-17-13-8-6-5-7-12(13)16(14)20/h5-10H,3-4,11H2,1-2H3
InChIKeyQKVKJFNSXZIGCC-UHFFFAOYSA-N
XLogP3.36
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinoline
CID 118146486
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentanamide
CID 57447092
ethyl 3-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propanoate
CID 57447047
2-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]isoindole-1,3-dione
CID 54490153
O-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl] ethanethioate
CID 91445036
N-(2-propylimidazo[4,5-c]quinolin-1-yl)propan-2-imine
CID 21075812
5-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentane-2-sulfonamide
CID 141135348
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
tert-butyl N-[4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 86668284
tert-butyl N-[N'-[2-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 126651386
2-(ethoxymethyl)-1-[[1-(2-methylsulfonylethoxy)cyclobutyl]methyl]imidazo[4,5-c]quinoline
CID 67203636
4-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-N-(4-methoxyphenyl)butane-1-sulfonamide
CID 68999938

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine?
The IUPAC name of N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine (CID 173186144) is N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine.
What is the SMILES notation for N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine?
The canonical SMILES for N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine is CCC=Nn1c(COCC)nc2cnc3ccccc3c21.
What is the InChIKey of N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine?
The InChIKey is QKVKJFNSXZIGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-9-18-20-15(11-21-4-2)19-14-10-17-13-8-6-5-7-12(13)16(14)20/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine?
N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine has a molecular weight of 282.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propan-1-imine is sourced from PubChem (CID 173186144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).