4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

C22H22N2O3 — CID 155553095

IUPAC4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccco2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
InChIKeyQKYAQYDPAPUYOC-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.19
Rot. Bonds3

About 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155553095) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155553095
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccco2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26)
InChIKeyQKYAQYDPAPUYOC-UHFFFAOYSA-N
XLogP4.19
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155553095) is 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccco2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is QKYAQYDPAPUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-8-10-15(11-9-13)24-22(26)19-14(2)23-16-5-3-6-17(25)20(16)21(19)18-7-4-12-27-18/h4,7-12,21,23H,3,5-6H2,1-2H3,(H,24,26).
What are the key properties of 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-methyl-N-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155553095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).