2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide

C15H15ClN4O — CID 103964639

IUPAC2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)Cl)nc2cnc3ccccc3c21
InChIInChI=1S/C15H15ClN4O/c1-9(16)15-19-12-7-18-11-6-4-3-5-10(11)14(12)20(15)8-13(21)17-2/h3-7,9H,8H2,1-2H3,(H,17,21)
InChIKeyHSLIDJYJUUPOEO-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.63
Rot. Bonds3

About 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide

2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide (PubChem CID 103964639) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide
PubChem CID103964639
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(C(C)Cl)nc2cnc3ccccc3c21
InChIInChI=1S/C15H15ClN4O/c1-9(16)15-19-12-7-18-11-6-4-3-5-10(11)14(12)20(15)8-13(21)17-2/h3-7,9H,8H2,1-2H3,(H,17,21)
InChIKeyHSLIDJYJUUPOEO-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930
2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline
CID 103964624
2-[2-(1-chloroethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 43667741
1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
CID 15224432
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-methylacetamide
CID 43667469
acetyl acetate;1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]pentyl acetate
CID 90319814
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404
2-(chloromethyl)-1-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]quinoline
CID 103964705
1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
3-[6-bromo-2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-methylpropanamide
CID 79302117
ethyl 2-[2-(1-chloroethyl)-7-methylbenzimidazol-1-yl]acetate
CID 115553050
ethyl 3-(2-methylimidazo[4,5-c]quinolin-1-yl)propanoate
CID 57447045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide (CID 103964639) is 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide is CNC(=O)Cn1c(C(C)Cl)nc2cnc3ccccc3c21.
What is the InChIKey of 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide?
The InChIKey is HSLIDJYJUUPOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9(16)15-19-12-7-18-11-6-4-3-5-10(11)14(12)20(15)8-13(21)17-2/h3-7,9H,8H2,1-2H3,(H,17,21).
What are the key properties of 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide?
2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide has a molecular weight of 302.77 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-chloroethyl)imidazo[4,5-c]quinolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 103964639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).