(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine

C18H23N5O2 — CID 58869097

IUPAC(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCC/C(C)=N/O
InChIInChI=1S/C18H23N5O2/c1-3-25-11-15-21-16-17(23(15)10-6-7-12(2)22-24)13-8-4-5-9-14(13)20-18(16)19/h4-5,8-9,24H,3,6-7,10-11H2,1-2H3,(H2,19,20)/b22-12+
InChIKeyLFZHDLQDSVJTPO-WSDLNYQXSA-N
MW341.42 g/mol
LogP3.33
Rot. Bonds7

About (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine

(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine (PubChem CID 58869097) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
PubChem CID58869097
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CCC/C(C)=N/O
InChIInChI=1S/C18H23N5O2/c1-3-25-11-15-21-16-17(23(15)10-6-7-12(2)22-24)13-8-4-5-9-14(13)20-18(16)19/h4-5,8-9,24H,3,6-7,10-11H2,1-2H3,(H2,19,20)/b22-12+
InChIKeyLFZHDLQDSVJTPO-WSDLNYQXSA-N
XLogP3.33
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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
2-(ethoxymethyl)-1-[3-(propan-2-ylideneamino)oxypropyl]imidazo[4,5-c]quinolin-4-amine
CID 58835308
2-(ethoxymethyl)-1-ethylimidazo[4,5-c]quinolin-4-amine
CID 122646444
4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 57447015
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
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
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
3-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethoxy]propane-1-sulfonamide
CID 68996460

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine (CID 58869097) is (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine is CCOCc1nc2c(N)nc3ccccc3c2n1CCC/C(C)=N/O.
What is the InChIKey of (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine?
The InChIKey is LFZHDLQDSVJTPO-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-3-25-11-15-21-16-17(23(15)10-6-7-12(2)22-24)13-8-4-5-9-14(13)20-18(16)19/h4-5,8-9,24H,3,6-7,10-11H2,1-2H3,(H2,19,20)/b22-12+.
What are the key properties of (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine?
(NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine has a molecular weight of 341.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]pentan-2-ylidene]hydroxylamine is sourced from PubChem (CID 58869097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).