N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

C20H25N5O — CID 19518495

IUPACN-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C20H25N5O/c1-4-25(5-2)11-10-21-20(26)17-12-19(15-13-22-24(3)14-15)23-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,21,26)
InChIKeyHMYHDHAYVFJEFQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.71
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19518495) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19518495
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12
InChIInChI=1S/C20H25N5O/c1-4-25(5-2)11-10-21-20(26)17-12-19(15-13-22-24(3)14-15)23-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,21,26)
InChIKeyHMYHDHAYVFJEFQ-UHFFFAOYSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide (CID 19518495) is N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is HMYHDHAYVFJEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-25(5-2)11-10-21-20(26)17-12-19(15-13-22-24(3)14-15)23-18-9-7-6-8-16(17)18/h6-9,12-14H,4-5,10-11H2,1-3H3,(H,21,26).
What are the key properties of N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide?
N-[2-(diethylamino)ethyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.71, 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-(1-methylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19518495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).