2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate

C16H20N2O3 — CID 6481989

IUPAC2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2cccnc2c1O
InChIInChI=1S/C16H20N2O3/c1-3-18(4-2)10-11-21-16(20)13-8-7-12-6-5-9-17-14(12)15(13)19/h5-9,19H,3-4,10-11H2,1-2H3
InChIKeySQTQSHJOBKILOA-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.44
Rot. Bonds6

About 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate

2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate (PubChem CID 6481989) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate
PubChem CID6481989
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate
SMILESCCN(CC)CCOC(=O)c1ccc2cccnc2c1O
InChIInChI=1S/C16H20N2O3/c1-3-18(4-2)10-11-21-16(20)13-8-7-12-6-5-9-17-14(12)15(13)19/h5-9,19H,3-4,10-11H2,1-2H3
InChIKeySQTQSHJOBKILOA-UHFFFAOYSA-N
XLogP2.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate?
The IUPAC name of 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate (CID 6481989) is 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate.
What is the SMILES notation for 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate?
The canonical SMILES for 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate is CCN(CC)CCOC(=O)c1ccc2cccnc2c1O.
What is the InChIKey of 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate?
The InChIKey is SQTQSHJOBKILOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-18(4-2)10-11-21-16(20)13-8-7-12-6-5-9-17-14(12)15(13)19/h5-9,19H,3-4,10-11H2,1-2H3.
What are the key properties of 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate?
2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 8-hydroxyquinoline-7-carboxylate is sourced from PubChem (CID 6481989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).