N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine

C23H26ClN3O — CID 141312296

IUPACN-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine
SMILESCCCCCCOc1ccc2c(c1)CCc1ncc(Nc3cccc(Cl)c3)n1-2
InChIInChI=1S/C23H26ClN3O/c1-2-3-4-5-13-28-20-10-11-21-17(14-20)9-12-22-25-16-23(27(21)22)26-19-8-6-7-18(24)15-19/h6-8,10-11,14-16,26H,2-5,9,12-13H2,1H3
InChIKeyJHIKYUZXURBAFT-UHFFFAOYSA-N
MW395.93 g/mol
LogP6.33
Rot. Bonds8

About N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine

N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine (PubChem CID 141312296) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine
PubChem CID141312296
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC NameN-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine
SMILESCCCCCCOc1ccc2c(c1)CCc1ncc(Nc3cccc(Cl)c3)n1-2
InChIInChI=1S/C23H26ClN3O/c1-2-3-4-5-13-28-20-10-11-21-17(14-20)9-12-22-25-16-23(27(21)22)26-19-8-6-7-18(24)15-19/h6-8,10-11,14-16,26H,2-5,9,12-13H2,1H3
InChIKeyJHIKYUZXURBAFT-UHFFFAOYSA-N
XLogP6.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-octoxy-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 141104228
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CID 23583503
N'-(3-chlorophenyl)-N-(4-hexoxyphenyl)ethane-1,2-diamine
CID 54806277
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CID 4934948
N-[(3-chlorophenyl)methyl]-4-hexoxyaniline
CID 54798771
2-N-(3-undecoxyphenyl)-4-N,6-N-bis(4-undecoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 58789715
2-(3-chloroanilino)-N-(3-heptoxyphenyl)acetamide
CID 54809292
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
3-butoxy-N-octylaniline
CID 54800685
3-chloro-N-(2-octoxyethyl)aniline
CID 63506591
3-chlorophenol;4-tetradecoxyphenol
CID 70365139

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine?
The IUPAC name of N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine (CID 141312296) is N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine.
What is the SMILES notation for N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine?
The canonical SMILES for N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine is CCCCCCOc1ccc2c(c1)CCc1ncc(Nc3cccc(Cl)c3)n1-2.
What is the InChIKey of N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine?
The InChIKey is JHIKYUZXURBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-2-3-4-5-13-28-20-10-11-21-17(14-20)9-12-22-25-16-23(27(21)22)26-19-8-6-7-18(24)15-19/h6-8,10-11,14-16,26H,2-5,9,12-13H2,1H3.
What are the key properties of N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine?
N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine has a molecular weight of 395.93 g/mol, XLogP of 6.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-7-hexoxy-4,5-dihydroimidazo[1,2-a]quinolin-1-amine is sourced from PubChem (CID 141312296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).