2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline

C17H20ClN3 — CID 103964624

IUPAC2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline
SMILESCC(Cl)c1nc2cnc3ccccc3c2n1C(C)C(C)C
InChIInChI=1S/C17H20ClN3/c1-10(2)12(4)21-16-13-7-5-6-8-14(13)19-9-15(16)20-17(21)11(3)18/h5-12H,1-4H3
InChIKeyNKXSZOQAHBZHKN-UHFFFAOYSA-N
MW301.82 g/mol
LogP5.10
Rot. Bonds3

About 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline

2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline (PubChem CID 103964624) has the molecular formula C17H20ClN3 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline
PubChem CID103964624
Molecular FormulaC17H20ClN3
Molecular Weight301.82 g/mol
Exact Mass301.13
IUPAC Name2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline
SMILESCC(Cl)c1nc2cnc3ccccc3c2n1C(C)C(C)C
InChIInChI=1S/C17H20ClN3/c1-10(2)12(4)21-16-13-7-5-6-8-14(13)19-9-15(16)20-17(21)11(3)18/h5-12H,1-4H3
InChIKeyNKXSZOQAHBZHKN-UHFFFAOYSA-N
XLogP5.10
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.82
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]quinolin-1-yl]-N-methylacetamide
CID 103964639
2-(chloromethyl)-1-(3-methylpentan-2-yl)imidazo[4,5-c]quinoline
CID 103964667
2-(2-chloroethyl)-1-pentan-3-ylimidazo[4,5-c]quinoline
CID 103964609
2-[(1R)-1-chloroethyl]-1-propan-2-ylbenzimidazole
CID 93257413
1-[1-(dimethylamino)propan-2-yl]imidazo[4,5-c]quinolin-2-amine
CID 103964554
1-(4-methoxybutan-2-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964526
1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
1-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-one
CID 15224432
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-(2-methylpropyl)-2-phenoxyimidazo[4,5-c]quinoline
CID 11301561
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline?
The IUPAC name of 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline (CID 103964624) is 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline?
The canonical SMILES for 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline is CC(Cl)c1nc2cnc3ccccc3c2n1C(C)C(C)C.
What is the InChIKey of 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline?
The InChIKey is NKXSZOQAHBZHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3/c1-10(2)12(4)21-16-13-7-5-6-8-14(13)19-9-15(16)20-17(21)11(3)18/h5-12H,1-4H3.
What are the key properties of 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline?
2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline has a molecular weight of 301.82 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(3-methylbutan-2-yl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 103964624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).