N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C23H20N2O3 — CID 662829

IUPACN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1
InChIInChI=1S/C23H20N2O3/c1-15-9-10-20(16(2)12-15)25(23(27)21-8-5-11-28-21)14-18-13-17-6-3-4-7-19(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyVVBCLFIUCVTQRE-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.58
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 662829) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID662829
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1
InChIInChI=1S/C23H20N2O3/c1-15-9-10-20(16(2)12-15)25(23(27)21-8-5-11-28-21)14-18-13-17-6-3-4-7-19(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26)
InChIKeyVVBCLFIUCVTQRE-UHFFFAOYSA-N
XLogP4.58
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 662829) is N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccco2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is VVBCLFIUCVTQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-15-9-10-20(16(2)12-15)25(23(27)21-8-5-11-28-21)14-18-13-17-6-3-4-7-19(17)24-22(18)26/h3-13H,14H2,1-2H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 662829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).