7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C24H22N2O4 — CID 53043613

IUPAC7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)c3cc(C(=O)Nc4ccc(C)cc4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C24H22N2O4/c1-14-3-7-17(8-4-14)25-23(28)20-13-19-21(26-24(20)29)11-16(12-22(19)27)15-5-9-18(30-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQWSYDOHBBQTWSA-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.86
Rot. Bonds4

About 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 53043613) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID53043613
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc(C2CC(=O)c3cc(C(=O)Nc4ccc(C)cc4)c(=O)[nH]c3C2)cc1
InChIInChI=1S/C24H22N2O4/c1-14-3-7-17(8-4-14)25-23(28)20-13-19-21(26-24(20)29)11-16(12-22(19)27)15-5-9-18(30-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQWSYDOHBBQTWSA-UHFFFAOYSA-N
XLogP3.86
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 53043613) is 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is COc1ccc(C2CC(=O)c3cc(C(=O)Nc4ccc(C)cc4)c(=O)[nH]c3C2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is QWSYDOHBBQTWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-14-3-7-17(8-4-14)25-23(28)20-13-19-21(26-24(20)29)11-16(12-22(19)27)15-5-9-18(30-2)10-6-15/h3-10,13,16H,11-12H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 53043613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).