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

C22H19N3O2 — CID 12005289

IUPACN-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyZMKPTMKDXDDWCG-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.81
Rot. Bonds5

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

N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide (PubChem CID 12005289) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide
PubChem CID12005289
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide
SMILESCc1ccccc1Nc1cc(C(=O)NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C22H19N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-13H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyZMKPTMKDXDDWCG-UHFFFAOYSA-N
XLogP4.81
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide (CID 12005289) is N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide is Cc1ccccc1Nc1cc(C(=O)NCc2ccco2)c2ccccc2n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide?
The InChIKey is ZMKPTMKDXDDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-15-7-2-4-10-19(15)24-21-13-18(17-9-3-5-11-20(17)25-21)22(26)23-14-16-8-6-12-27-16/h2-13H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide?
N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methylanilino)quinoline-4-carboxamide is sourced from PubChem (CID 12005289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).