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

C20H21N3O — CID 753478

IUPACN-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-23(2)13-12-21-20(24)17-14-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLMPRIQDIYLUDPZ-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.19
Rot. Bonds5

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

N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide (PubChem CID 753478) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
PubChem CID753478
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C20H21N3O/c1-23(2)13-12-21-20(24)17-14-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyLMPRIQDIYLUDPZ-UHFFFAOYSA-N
XLogP3.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide (CID 753478) is N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is LMPRIQDIYLUDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(2)13-12-21-20(24)17-14-19(15-8-4-3-5-9-15)22-18-11-7-6-10-16(17)18/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 753478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).