N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide

C20H23N3O2 — CID 155560864

IUPACN-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeySJIGBGAZXMQRIE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.57
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide (PubChem CID 155560864) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide
PubChem CID155560864
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccoc2)nc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24)
InChIKeySJIGBGAZXMQRIE-UHFFFAOYSA-N
XLogP3.57
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide (CID 155560864) is N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccoc2)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide?
The InChIKey is SJIGBGAZXMQRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-23(4-2)11-10-21-20(24)17-13-19(15-9-12-25-14-15)22-18-8-6-5-7-16(17)18/h5-9,12-14H,3-4,10-11H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide is sourced from PubChem (CID 155560864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).