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

C22H22N2O3 — CID 11610220

IUPAC4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccoc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N2O3/c1-13-6-3-4-7-16(13)24-22(26)19-14(2)23-17-8-5-9-18(25)21(17)20(19)15-10-11-27-12-15/h3-4,6-7,10-12,20,23H,5,8-9H2,1-2H3,(H,24,26)
InChIKeyXJCVHKVENWVXJU-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.19
Rot. Bonds3

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

4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 11610220) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID11610220
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2ccoc2)C2=C(CCCC2=O)N1
InChIInChI=1S/C22H22N2O3/c1-13-6-3-4-7-16(13)24-22(26)19-14(2)23-17-8-5-9-18(25)21(17)20(19)15-10-11-27-12-15/h3-4,6-7,10-12,20,23H,5,8-9H2,1-2H3,(H,24,26)
InChIKeyXJCVHKVENWVXJU-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-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 11610220) is 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2ccoc2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is XJCVHKVENWVXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-13-6-3-4-7-16(13)24-22(26)19-14(2)23-17-8-5-9-18(25)21(17)20(19)15-10-11-27-12-15/h3-4,6-7,10-12,20,23H,5,8-9H2,1-2H3,(H,24,26).
What are the key properties of 4-(furan-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(furan-3-yl)-2-methyl-N-(2-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-3-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 11610220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).