4-(diethylamino)quinoline-3-carboxylic acid

C14H16N2O2 — CID 13295830

IUPAC4-(diethylamino)quinoline-3-carboxylic acid
SMILESCCN(CC)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-16(4-2)13-10-7-5-6-8-12(10)15-9-11(13)14(17)18/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyYCSBLGJNXGFEEV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.78
Rot. Bonds4

About 4-(diethylamino)quinoline-3-carboxylic acid

4-(diethylamino)quinoline-3-carboxylic acid (PubChem CID 13295830) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(diethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(diethylamino)quinoline-3-carboxylic acid
PubChem CID13295830
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(diethylamino)quinoline-3-carboxylic acid
SMILESCCN(CC)c1c(C(=O)O)cnc2ccccc12
InChIInChI=1S/C14H16N2O2/c1-3-16(4-2)13-10-7-5-6-8-12(10)15-9-11(13)14(17)18/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyYCSBLGJNXGFEEV-UHFFFAOYSA-N
XLogP2.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(diethylamino)quinoline-3-carboxylic acid (CID 13295830) is 4-(diethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(diethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(diethylamino)quinoline-3-carboxylic acid is CCN(CC)c1c(C(=O)O)cnc2ccccc12.
What is the InChIKey of 4-(diethylamino)quinoline-3-carboxylic acid?
The InChIKey is YCSBLGJNXGFEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-16(4-2)13-10-7-5-6-8-12(10)15-9-11(13)14(17)18/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 4-(diethylamino)quinoline-3-carboxylic acid?
4-(diethylamino)quinoline-3-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 13295830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).