4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide

C26H22N2O4 — CID 23859433

IUPAC4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C26H22N2O4/c27-26(31)17-8-10-19(11-9-17)28-21-13-18(16-5-2-1-3-6-16)14-22(29)25(21)20(15-24(28)30)23-7-4-12-32-23/h1-12,18,20H,13-15H2,(H2,27,31)
InChIKeyHCLNMCAIDKFGTF-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.30
Rot. Bonds4

About 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide

4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide (PubChem CID 23859433) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide
PubChem CID23859433
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Name4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide
SMILESNC(=O)c1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)cc1
InChIInChI=1S/C26H22N2O4/c27-26(31)17-8-10-19(11-9-17)28-21-13-18(16-5-2-1-3-6-16)14-22(29)25(21)20(15-24(28)30)23-7-4-12-32-23/h1-12,18,20H,13-15H2,(H2,27,31)
InChIKeyHCLNMCAIDKFGTF-UHFFFAOYSA-N
XLogP4.30
TPSA93.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide?
The IUPAC name of 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide (CID 23859433) is 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide.
What is the SMILES notation for 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide?
The canonical SMILES for 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide is NC(=O)c1ccc(N2C(=O)CC(c3ccco3)C3=C2CC(c2ccccc2)CC3=O)cc1.
What is the InChIKey of 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide?
The InChIKey is HCLNMCAIDKFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c27-26(31)17-8-10-19(11-9-17)28-21-13-18(16-5-2-1-3-6-16)14-22(29)25(21)20(15-24(28)30)23-7-4-12-32-23/h1-12,18,20H,13-15H2,(H2,27,31).
What are the key properties of 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide?
4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide has a molecular weight of 426.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(furan-2-yl)-2,5-dioxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinolin-1-yl]benzamide is sourced from PubChem (CID 23859433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).