N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide

C22H30N6O2 — CID 142145309

IUPACN-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
SMILESCNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)C1CC1
InChIInChI=1S/C22H30N6O2/c1-24-10-4-7-18-27-19-20(16-5-2-3-6-17(16)26-21(19)23)28(18)12-14-30-13-11-25-22(29)15-8-9-15/h2-3,5-6,15,24H,4,7-14H2,1H3,(H2,23,26)(H,25,29)
InChIKeyGXNZFXZQBUDBPP-UHFFFAOYSA-N
MW410.52 g/mol
LogP1.86
Rot. Bonds11

About N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide

N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide (PubChem CID 142145309) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
PubChem CID142145309
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide
SMILESCNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)C1CC1
InChIInChI=1S/C22H30N6O2/c1-24-10-4-7-18-27-19-20(16-5-2-3-6-17(16)26-21(19)23)28(18)12-14-30-13-11-25-22(29)15-8-9-15/h2-3,5-6,15,24H,4,7-14H2,1H3,(H2,23,26)(H,25,29)
InChIKeyGXNZFXZQBUDBPP-UHFFFAOYSA-N
XLogP1.86
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]butanamide
CID 142145311
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide;ethane
CID 142145306
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]benzamide
CID 20608822
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-oxocyclohexane-1,4-dicarboxamide
CID 167295967
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]naphthalene-1-carboxamide
CID 20608821
N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-2-phenylmethoxyacetamide
CID 20608837
1-N-[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butyl]-4-N-[2-[2-[3-[[3-(aminomethyl)cyclononyl]methylamino]-3-oxopropoxy]ethoxy]ethyl]cyclohexane-1,4-dicarboxamide
CID 154972230
2-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]ethylcarbamic acid
CID 90884300
2-[4-amino-1-[4-(methylamino)butyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 142032833
2-butyl-1-[2-[2-(methylamino)ethoxy]ethyl]imidazo[4,5-c]quinolin-4-amine;ethane;formaldehyde;2-methylthiophene
CID 142145797
2-[4-amino-1-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-2-yl]ethanol
CID 143284618
2-amino-N-[2-[2-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)ethoxy]ethyl]-5-(diaminomethylideneamino)pentanamide;ethane
CID 162737190

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide (CID 142145309) is N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide is CNCCCc1nc2c(N)nc3ccccc3c2n1CCOCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide?
The InChIKey is GXNZFXZQBUDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-24-10-4-7-18-27-19-20(16-5-2-3-6-17(16)26-21(19)23)28(18)12-14-30-13-11-25-22(29)15-8-9-15/h2-3,5-6,15,24H,4,7-14H2,1H3,(H2,23,26)(H,25,29).
What are the key properties of N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide?
N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide has a molecular weight of 410.52 g/mol, XLogP of 1.86, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-amino-2-[3-(methylamino)propyl]imidazo[4,5-c]quinolin-1-yl]ethoxy]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 142145309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).