N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide

C22H19N3O3 — CID 6622012

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGHUPRFIVZZHVGU-UHFFFAOYSA-N
MW373.41 g/mol
LogP4.51
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide

N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide (PubChem CID 6622012) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
PubChem CID6622012
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
SMILESCOc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1
InChIInChI=1S/C22H19N3O3/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyGHUPRFIVZZHVGU-UHFFFAOYSA-N
XLogP4.51
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-2-(4-methoxyanilino)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

Related Compounds

CID 2908985
CID 2908985
CID 2910633
CID 2910633
CID 719250
CID 719250
CID 903397
CID 903397
CID 1599048
CID 1599048
CID 2908311
CID 2908311
CID 2952918
CID 2952918
CID 4219491
CID 4219491
CID 15987793
CID 15987793
CID 22609796
CID 22609796
CID 44394609
CID 44394609
CID 826914
CID 826914

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide (CID 6622012) is N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide is COc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide?
The InChIKey is GHUPRFIVZZHVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-27-16-10-8-15(9-11-16)24-21-13-19(18-6-2-3-7-20(18)25-21)22(26)23-14-17-5-4-12-28-17/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide is sourced from PubChem (CID 6622012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).