6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide

C22H24ClN3O — CID 155521133

IUPAC6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-3-26(4-2)13-12-24-22(27)19-15-21(16-8-6-5-7-9-16)25-20-11-10-17(23)14-18(19)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyGNVRAFZGUISYFY-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.63
Rot. Bonds7

About 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide

6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 155521133) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID155521133
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-3-26(4-2)13-12-24-22(27)19-15-21(16-8-6-5-7-9-16)25-20-11-10-17(23)14-18(19)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,27)
InChIKeyGNVRAFZGUISYFY-UHFFFAOYSA-N
XLogP4.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide (CID 155521133) is 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is GNVRAFZGUISYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-3-26(4-2)13-12-24-22(27)19-15-21(16-8-6-5-7-9-16)25-20-11-10-17(23)14-18(19)20/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,24,27).
What are the key properties of 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(diethylamino)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 155521133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).