3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline

C26H20N4O2 — CID 69220525

IUPAC3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1
InChIInChI=1S/C26H20N4O2/c1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h2-9,12-16H,10-11H2,1H3
InChIKeyUENLHKKHIJDGMT-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.46
Rot. Bonds5

About 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline

3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline (PubChem CID 69220525) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline.

Molecular Properties

Compound Name3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline
PubChem CID69220525
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC Name3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline
SMILESCOc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1
InChIInChI=1S/C26H20N4O2/c1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h2-9,12-16H,10-11H2,1H3
InChIKeyUENLHKKHIJDGMT-UHFFFAOYSA-N
XLogP5.46
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline?
The IUPAC name of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline (CID 69220525) is 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline.
What is the SMILES notation for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline?
The canonical SMILES for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline is COc1ccnc(CCc2nc3cc4ccccc4nc3n2-c2ccc3cccc-3o2)c1.
What is the InChIKey of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline?
The InChIKey is UENLHKKHIJDGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c1-31-20-13-14-27-19(16-20)10-11-24-28-22-15-18-5-2-3-7-21(18)29-26(22)30(24)25-12-9-17-6-4-8-23(17)32-25/h2-9,12-16H,10-11H2,1H3.
What are the key properties of 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline?
3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline has a molecular weight of 420.47 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta[b]pyran-2-yl-2-[2-(4-methoxy-2-pyridinyl)ethyl]imidazo[4,5-b]quinoline is sourced from PubChem (CID 69220525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).