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

C26H24N2O3 — CID 155513981

IUPAC4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cc3ccccc3o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H24N2O3/c1-15-8-3-5-10-18(15)28-26(30)23-16(2)27-19-11-7-12-20(29)24(19)25(23)22-14-17-9-4-6-13-21(17)31-22/h3-6,8-10,13-14,25,27H,7,11-12H2,1-2H3,(H,28,30)
InChIKeyHGIRXKVNWSMESF-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.35
Rot. Bonds3

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

4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (PubChem CID 155513981) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
PubChem CID155513981
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2C)C(c2cc3ccccc3o2)C2=C(CCCC2=O)N1
InChIInChI=1S/C26H24N2O3/c1-15-8-3-5-10-18(15)28-26(30)23-16(2)27-19-11-7-12-20(29)24(19)25(23)22-14-17-9-4-6-13-21(17)31-22/h3-6,8-10,13-14,25,27H,7,11-12H2,1-2H3,(H,28,30)
InChIKeyHGIRXKVNWSMESF-UHFFFAOYSA-N
XLogP5.35
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide (CID 155513981) is 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is CC1=C(C(=O)Nc2ccccc2C)C(c2cc3ccccc3o2)C2=C(CCCC2=O)N1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
The InChIKey is HGIRXKVNWSMESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-15-8-3-5-10-18(15)28-26(30)23-16(2)27-19-11-7-12-20(29)24(19)25(23)22-14-17-9-4-6-13-21(17)31-22/h3-6,8-10,13-14,25,27H,7,11-12H2,1-2H3,(H,28,30).
What are the key properties of 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide?
4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 5.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-methyl-N-(2-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 155513981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).