1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide

C21H18N4O4 — CID 131938944

IUPAC1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide
SMILESCC1NC(=O)N(c2ccccc2NC(=O)c2cc3ccccc3n(C)c2=O)C1=O
InChIInChI=1S/C21H18N4O4/c1-12-19(27)25(21(29)22-12)17-10-6-4-8-15(17)23-18(26)14-11-13-7-3-5-9-16(13)24(2)20(14)28/h3-12H,1-2H3,(H,22,29)(H,23,26)
InChIKeyBKIGGGUYQUVQMO-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.24
Rot. Bonds3

About 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide

1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide (PubChem CID 131938944) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide
PubChem CID131938944
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide
SMILESCC1NC(=O)N(c2ccccc2NC(=O)c2cc3ccccc3n(C)c2=O)C1=O
InChIInChI=1S/C21H18N4O4/c1-12-19(27)25(21(29)22-12)17-10-6-4-8-15(17)23-18(26)14-11-13-7-3-5-9-16(13)24(2)20(14)28/h3-12H,1-2H3,(H,22,29)(H,23,26)
InChIKeyBKIGGGUYQUVQMO-UHFFFAOYSA-N
XLogP2.24
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide (CID 131938944) is 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide is CC1NC(=O)N(c2ccccc2NC(=O)c2cc3ccccc3n(C)c2=O)C1=O.
What is the InChIKey of 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide?
The InChIKey is BKIGGGUYQUVQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-12-19(27)25(21(29)22-12)17-10-6-4-8-15(17)23-18(26)14-11-13-7-3-5-9-16(13)24(2)20(14)28/h3-12H,1-2H3,(H,22,29)(H,23,26).
What are the key properties of 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide?
1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 131938944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).