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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Related Compounds

1-[5-(Cyclohexylmethyl)-1-[2-(diethylamino)ethyl]-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
CID 19700643
N-(cyclohexylcarbamoyl)-2-(2-methyl-2,3-dihydroindol-1-yl)acetamide
CID 3609423
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 664058
2-[1-Cycloheptyl-2,4-dioxo-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-1,2,4,5-tetrahydro-1,3,5-benzotriazepin-3-yl]-N-m-tolyl-acetamide
CID 44451522
1-[2,4-Dioxo-1,5-bis(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
CID 44451577
(5E)-1-benzyl-5-{[4-(dimethylamino)phenyl]methylidene}imidazolidine-2,4-dione
CID 25185444
3-Cyclohexyl-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-1-(2-pyrrolidin-1-yl-ethyl)-urea
CID 644647
2-[4-(3-Phenyl-ureido)-piperidin-1-yl]-N-o-tolyl-acetamide
CID 649315
1-(2-Dimethylamino-ethyl)-1-(6-ethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-urea
CID 651257
N-benzyl-2-[3-[2-(benzylamino)-2-oxoethyl]-2-oxobenzimidazol-1-yl]acetamide
CID 1109829
3-[2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 3575123
N-carbamoyl-2-[4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3678358

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).