2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline

C24H23N3O — CID 22254431

IUPAC2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
SMILESCc1nc2cnc3ccccc3c2n1CCCCOCC#Cc1ccccc1
InChIInChI=1S/C24H23N3O/c1-19-26-23-18-25-22-14-6-5-13-21(22)24(23)27(19)15-7-8-16-28-17-9-12-20-10-3-2-4-11-20/h2-6,10-11,13-14,18H,7-8,15-17H2,1H3
InChIKeyFGTWFFSTXODNGR-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.74
Rot. Bonds6

About 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline

2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline (PubChem CID 22254431) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
PubChem CID22254431
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline
SMILESCc1nc2cnc3ccccc3c2n1CCCCOCC#Cc1ccccc1
InChIInChI=1S/C24H23N3O/c1-19-26-23-18-25-22-14-6-5-13-21(22)24(23)27(19)15-7-8-16-28-17-9-12-20-10-3-2-4-11-20/h2-6,10-11,13-14,18H,7-8,15-17H2,1H3
InChIKeyFGTWFFSTXODNGR-UHFFFAOYSA-N
XLogP4.74
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline (CID 22254431) is 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline is Cc1nc2cnc3ccccc3c2n1CCCCOCC#Cc1ccccc1.
What is the InChIKey of 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline?
The InChIKey is FGTWFFSTXODNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-19-26-23-18-25-22-14-6-5-13-21(22)24(23)27(19)15-7-8-16-28-17-9-12-20-10-3-2-4-11-20/h2-6,10-11,13-14,18H,7-8,15-17H2,1H3.
What are the key properties of 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline?
2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline has a molecular weight of 369.47 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(3-phenylprop-2-ynoxy)butyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 22254431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).