N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide

C21H26N4O2 — CID 155560708

IUPACN-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C21H26N4O2/c1-5-25(6-2)12-11-22-21(26)17-13-19(20-14(3)24-27-15(20)4)23-18-10-8-7-9-16(17)18/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,26)
InChIKeyOPJMJNXBZBJNBH-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide (PubChem CID 155560708) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
PubChem CID155560708
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C21H26N4O2/c1-5-25(6-2)12-11-22-21(26)17-13-19(20-14(3)24-27-15(20)4)23-18-10-8-7-9-16(17)18/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,26)
InChIKeyOPJMJNXBZBJNBH-UHFFFAOYSA-N
XLogP3.58
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide (CID 155560708) is N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2c(C)noc2C)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
The InChIKey is OPJMJNXBZBJNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-25(6-2)12-11-22-21(26)17-13-19(20-14(3)24-27-15(20)4)23-18-10-8-7-9-16(17)18/h7-10,13H,5-6,11-12H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 155560708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).