2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

C23H21N3O2 — CID 5074064

IUPAC2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1C
InChIInChI=1S/C23H21N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKKOYSPQNCVEPEL-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.12
Rot. Bonds5

About 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide

2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (PubChem CID 5074064) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
PubChem CID5074064
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1C
InChIInChI=1S/C23H21N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyKKOYSPQNCVEPEL-UHFFFAOYSA-N
XLogP5.12
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
2-(3,4-dimethylanilino)-N-(oxolan-2-ylmethyl)quinoline-4-carboxamide
CID 5074065
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
5-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)pyrazine-2-carboxamide
CID 109279370
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326984
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-(furan-2-ylmethyl)-2,4,5-trimethylbenzamide
CID 95970655
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2-phenylquinoline-4-carboxamide
CID 9079005
N-(furan-2-ylmethyl)-4-methoxyquinoline-2-carboxamide
CID 71824016
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 20854553
2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)pyridine-4-carboxamide
CID 109169271

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide (CID 5074064) is 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NCc3ccco3)c3ccccc3n2)cc1C.
What is the InChIKey of 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
The InChIKey is KKOYSPQNCVEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-15-9-10-17(12-16(15)2)25-22-13-20(19-7-3-4-8-21(19)26-22)23(27)24-14-18-6-5-11-28-18/h3-13H,14H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide?
2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylanilino)-N-(furan-2-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 5074064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).