N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

C27H28N2O5 — CID 4625594

IUPACN-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(OC)cc4)c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C27H28N2O5/c1-5-34-20-10-6-17(7-11-20)28-25(31)22-14-21-23(15-27(2,3)16-24(21)30)29(26(22)32)18-8-12-19(33-4)13-9-18/h6-14H,5,15-16H2,1-4H3,(H,28,31)
InChIKeyKIHZUXQELIRMSJ-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.65
Rot. Bonds6

About N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide

N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (PubChem CID 4625594) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
PubChem CID4625594
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC NameN-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(OC)cc4)c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C27H28N2O5/c1-5-34-20-10-6-17(7-11-20)28-25(31)22-14-21-23(15-27(2,3)16-24(21)30)29(26(22)32)18-8-12-19(33-4)13-9-18/h6-14H,5,15-16H2,1-4H3,(H,28,31)
InChIKeyKIHZUXQELIRMSJ-UHFFFAOYSA-N
XLogP4.65
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide (CID 4625594) is N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is CCOc1ccc(NC(=O)c2cc3c(n(-c4ccc(OC)cc4)c2=O)CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is KIHZUXQELIRMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-5-34-20-10-6-17(7-11-20)28-25(31)22-14-21-23(15-27(2,3)16-24(21)30)29(26(22)32)18-8-12-19(33-4)13-9-18/h6-14H,5,15-16H2,1-4H3,(H,28,31).
What are the key properties of N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide?
N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 460.53 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 4625594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).