7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline

C22H23N3O — CID 10450269

IUPAC7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline
SMILESCCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1
InChIInChI=1S/C22H23N3O/c1-2-24-11-13-25(14-12-24)22-18-15-26-20-10-6-4-8-17(20)21(18)16-7-3-5-9-19(16)23-22/h3-10H,2,11-15H2,1H3
InChIKeyIYTZBBHXVFCSPQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds2

About 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline

7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline (PubChem CID 10450269) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline.

Molecular Properties

Compound Name7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline
PubChem CID10450269
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline
SMILESCCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1
InChIInChI=1S/C22H23N3O/c1-2-24-11-13-25(14-12-24)22-18-15-26-20-10-6-4-8-17(20)21(18)16-7-3-5-9-19(16)23-22/h3-10H,2,11-15H2,1H3
InChIKeyIYTZBBHXVFCSPQ-UHFFFAOYSA-N
XLogP3.94
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline?
The IUPAC name of 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline (CID 10450269) is 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline.
What is the SMILES notation for 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline?
The canonical SMILES for 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline is CCN1CCN(c2nc3ccccc3c3c2COc2ccccc2-3)CC1.
What is the InChIKey of 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline?
The InChIKey is IYTZBBHXVFCSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-24-11-13-25(14-12-24)22-18-15-26-20-10-6-4-8-17(20)21(18)16-7-3-5-9-19(16)23-22/h3-10H,2,11-15H2,1H3.
What are the key properties of 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline?
7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline has a molecular weight of 345.45 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylpiperazin-1-yl)-6H-chromeno[3,4-c]quinoline is sourced from PubChem (CID 10450269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).