2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline

C22H19N3O — CID 69084239

IUPAC2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
SMILESCCc1nc2cnc3ccccc3c2n1CC#Cc1ccc(OC)cc1
InChIInChI=1S/C22H19N3O/c1-3-21-24-20-15-23-19-9-5-4-8-18(19)22(20)25(21)14-6-7-16-10-12-17(26-2)13-11-16/h4-5,8-13,15H,3,14H2,1-2H3
InChIKeyDAHWCDRNCBIBAK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.21
Rot. Bonds3

About 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline

2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline (PubChem CID 69084239) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
PubChem CID69084239
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline
SMILESCCc1nc2cnc3ccccc3c2n1CC#Cc1ccc(OC)cc1
InChIInChI=1S/C22H19N3O/c1-3-21-24-20-15-23-19-9-5-4-8-18(19)22(20)25(21)14-6-7-16-10-12-17(26-2)13-11-16/h4-5,8-13,15H,3,14H2,1-2H3
InChIKeyDAHWCDRNCBIBAK-UHFFFAOYSA-N
XLogP4.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline?
The IUPAC name of 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline (CID 69084239) is 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline is CCc1nc2cnc3ccccc3c2n1CC#Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline?
The InChIKey is DAHWCDRNCBIBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-3-21-24-20-15-23-19-9-5-4-8-18(19)22(20)25(21)14-6-7-16-10-12-17(26-2)13-11-16/h4-5,8-13,15H,3,14H2,1-2H3.
What are the key properties of 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline?
2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline has a molecular weight of 341.41 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[3-(4-methoxyphenyl)prop-2-ynyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 69084239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).