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

C20H20ClN3O — CID 155555057

IUPAC6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(21)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyOTYKACTVOCREFB-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.85
Rot. Bonds5

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

6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 155555057) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID155555057
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H20ClN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(21)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25)
InChIKeyOTYKACTVOCREFB-UHFFFAOYSA-N
XLogP3.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.85
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-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide (CID 155555057) is 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is OTYKACTVOCREFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-24(2)11-10-22-20(25)17-13-19(14-6-4-3-5-7-14)23-18-9-8-15(21)12-16(17)18/h3-9,12-13H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 155555057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).