N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

C24H22N2O3 — CID 1397247

IUPACN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c(C)c1
InChIInChI=1S/C24H22N2O3/c1-15-7-9-21(17(3)11-15)26(24(28)22-5-4-10-29-22)14-19-13-18-8-6-16(2)12-20(18)25-23(19)27/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyXPCDPBFIFRBURK-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.89
Rot. Bonds4

About N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide

N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (PubChem CID 1397247) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
PubChem CID1397247
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC NameN-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c(C)c1
InChIInChI=1S/C24H22N2O3/c1-15-7-9-21(17(3)11-15)26(24(28)22-5-4-10-29-22)14-19-13-18-8-6-16(2)12-20(18)25-23(19)27/h4-13H,14H2,1-3H3,(H,25,27)
InChIKeyXPCDPBFIFRBURK-UHFFFAOYSA-N
XLogP4.89
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide (CID 1397247) is N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccco2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
The InChIKey is XPCDPBFIFRBURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-15-7-9-21(17(3)11-15)26(24(28)22-5-4-10-29-22)14-19-13-18-8-6-16(2)12-20(18)25-23(19)27/h4-13H,14H2,1-3H3,(H,25,27).
What are the key properties of N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide?
N-(2,4-dimethylphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 4.89, 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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 1397247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).