N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide

C21H24N2O4 — CID 3152511

IUPACN-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
SMILESCOCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C21H24N2O4/c1-21(2)12-17-15(18(24)13-21)11-16(19(25)22-9-10-27-3)20(26)23(17)14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,25)
InChIKeyILJFFBSSBAHLLV-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.37
Rot. Bonds5

About N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide

N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide (PubChem CID 3152511) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
PubChem CID3152511
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
SMILESCOCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C21H24N2O4/c1-21(2)12-17-15(18(24)13-21)11-16(19(25)22-9-10-27-3)20(26)23(17)14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,25)
InChIKeyILJFFBSSBAHLLV-UHFFFAOYSA-N
XLogP2.37
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide (CID 3152511) is N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide is COCCNC(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O.
What is the InChIKey of N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is ILJFFBSSBAHLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)12-17-15(18(24)13-21)11-16(19(25)22-9-10-27-3)20(26)23(17)14-7-5-4-6-8-14/h4-8,11H,9-10,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 3152511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).