2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline

C16H18ClN3O — CID 104763468

IUPAC2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
SMILESCOC(C)(C)Cn1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18ClN3O/c1-16(2,21-3)10-20-14(8-17)19-13-9-18-12-7-5-4-6-11(12)15(13)20/h4-7,9H,8,10H2,1-3H3
InChIKeyFVCHDDPQPFDGOH-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.75
Rot. Bonds4

About 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline

2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline (PubChem CID 104763468) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
PubChem CID104763468
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
SMILESCOC(C)(C)Cn1c(CCl)nc2cnc3ccccc3c21
InChIInChI=1S/C16H18ClN3O/c1-16(2,21-3)10-20-14(8-17)19-13-9-18-12-7-5-4-6-11(12)15(13)20/h4-7,9H,8,10H2,1-3H3
InChIKeyFVCHDDPQPFDGOH-UHFFFAOYSA-N
XLogP3.75
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
2-(chloromethyl)-1-(2-methylcyclopropyl)imidazo[4,5-c]quinoline
CID 103964688
2-ethyl-1-methoxyimidazo[4,5-c]quinoline
CID 67506760
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667
2-[2-(2-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N,N-dimethylethanamine
CID 103964573
3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
CID 164568357
6-bromo-2-(chloromethyl)-3-(2-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 104763494
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404
1-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
CID 11301561
tert-butyl N-[2-[2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]carbamate
CID 69417224

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline (CID 104763468) is 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline is COC(C)(C)Cn1c(CCl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline?
The InChIKey is FVCHDDPQPFDGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-16(2,21-3)10-20-14(8-17)19-13-9-18-12-7-5-4-6-11(12)15(13)20/h4-7,9H,8,10H2,1-3H3.
What are the key properties of 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline?
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline has a molecular weight of 303.79 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 104763468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).