1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine

C18H23N5O — CID 58869100

IUPAC1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine
SMILESCO/N=C(\C)CC(C)(C)Cn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5O/c1-12(22-24-4)9-18(2,3)10-23-11-20-15-16(23)13-7-5-6-8-14(13)21-17(15)19/h5-8,11H,9-10H2,1-4H3,(H2,19,21)/b22-12+
InChIKeySVMIVASCMFZNTF-WSDLNYQXSA-N
MW325.42 g/mol
LogP3.61
Rot. Bonds5

About 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine

1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 58869100) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine
PubChem CID58869100
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine
SMILESCO/N=C(\C)CC(C)(C)Cn1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C18H23N5O/c1-12(22-24-4)9-18(2,3)10-23-11-20-15-16(23)13-7-5-6-8-14(13)21-17(15)19/h5-8,11H,9-10H2,1-4H3,(H2,19,21)/b22-12+
InChIKeySVMIVASCMFZNTF-WSDLNYQXSA-N
XLogP3.61
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-2-(2-methylsulfonylethoxy)propyl]imidazo[4,5-c]quinolin-4-amine
CID 58917318
potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
1-(3-aminopropyl)imidazo[4,5-c]quinolin-4-amine
CID 18783973
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-(3-aminoprop-2-enyl)imidazo[4,5-c]quinolin-4-amine
CID 69327873
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
1-(4-amino-8-bromoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 69080714
methyl 10-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butylamino]-10-oxodecanoate
CID 23381326
1-[4-(4-aminoimidazo[4,5-c]quinolin-1-yl)butyl]-3-methyl-1-phenylurea
CID 142653136
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483

Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine (CID 58869100) is 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine is CO/N=C(\C)CC(C)(C)Cn1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is SVMIVASCMFZNTF-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H23N5O/c1-12(22-24-4)9-18(2,3)10-23-11-20-15-16(23)13-7-5-6-8-14(13)21-17(15)19/h5-8,11H,9-10H2,1-4H3,(H2,19,21)/b22-12+.
What are the key properties of 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine?
1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 325.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-methoxyimino-2,2-dimethylpentyl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 58869100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).