2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine

C19H25N5O2 — CID 58835308

IUPAC2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCON=C(C)C
InChIInChI=1S/C19H25N5O2/c1-4-25-12-16-22-17-18(24(16)10-7-11-26-23-13(2)3)14-8-5-6-9-15(14)21-19(17)20/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,20,21)
InChIKeyLRYDCVNHZBFCJM-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.51
Rot. Bonds8

About 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine

2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 58835308) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID58835308
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCCON=C(C)C
InChIInChI=1S/C19H25N5O2/c1-4-25-12-16-22-17-18(24(16)10-7-11-26-23-13(2)3)14-8-5-6-9-15(14)21-19(17)20/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,20,21)
InChIKeyLRYDCVNHZBFCJM-UHFFFAOYSA-N
XLogP3.51
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminopropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 22344434
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
CID 58869097
2-(ethoxymethyl)-1-[3-[(2-fluorophenyl)methylideneamino]oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 91591860
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
1-[3-[(E)-but-3-enylideneamino]oxypropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine;(E)-3-fluoropent-2-ene
CID 143008337
N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]-2-chloroacetamide
CID 172692306
2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-4-amine
CID 118146427
2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethylcarbamic acid
CID 146308241
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460
tert-butyl N-[3-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]propyl]carbamate
CID 10046489
2-(ethoxymethyl)-1-[(2E)-2-methoxyiminobutyl]imidazo[4,5-c]quinolin-4-amine
CID 58869093

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine (CID 58835308) is 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CCCON=C(C)C.
What is the InChIKey of 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is LRYDCVNHZBFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-25-12-16-22-17-18(24(16)10-7-11-26-23-13(2)3)14-8-5-6-9-15(14)21-19(17)20/h5-6,8-9H,4,7,10-12H2,1-3H3,(H2,20,21).
What are the key properties of 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine?
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58835308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).