3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide

C21H18N4O4 — CID 154850134

IUPAC3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cccc(C4(C)NC(=O)NC4=O)c3)cc12
InChIInChI=1S/C21H18N4O4/c1-11-8-17(26)23-16-7-6-14(10-15(11)16)22-18(27)12-4-3-5-13(9-12)21(2)19(28)24-20(29)25-21/h3-10H,1-2H3,(H,22,27)(H,23,26)(H2,24,25,28,29)
InChIKeyLGNSRGLAQQMMFI-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.14
Rot. Bonds3

About 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide

3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide (PubChem CID 154850134) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide.

Molecular Properties

Compound Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
PubChem CID154850134
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC Name3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide
SMILESCc1cc(=O)[nH]c2ccc(NC(=O)c3cccc(C4(C)NC(=O)NC4=O)c3)cc12
InChIInChI=1S/C21H18N4O4/c1-11-8-17(26)23-16-7-6-14(10-15(11)16)22-18(27)12-4-3-5-13(9-12)21(2)19(28)24-20(29)25-21/h3-10H,1-2H3,(H,22,27)(H,23,26)(H2,24,25,28,29)
InChIKeyLGNSRGLAQQMMFI-UHFFFAOYSA-N
XLogP2.14
TPSA120.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-nitrobenzamide
CID 51949356
N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 51949404
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzamide
CID 166226982
5-bromo-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyridine-3-carboxamide
CID 51949297
2-methyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-5-methylsulfanylbenzamide
CID 55735649
4,5-dimethyl-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]thiophene-3-carboxamide
CID 122159303
4-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]thiane-4-carboxylic acid
CID 120531218
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 52613811
7-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]heptanamide
CID 119728470
3-ethyl-3-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]pentanoic acid
CID 120532567

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The IUPAC name of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide (CID 154850134) is 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide.
What is the SMILES notation for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The canonical SMILES for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide is Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccc(C4(C)NC(=O)NC4=O)c3)cc12.
What is the InChIKey of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
The InChIKey is LGNSRGLAQQMMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-11-8-17(26)23-16-7-6-14(10-15(11)16)22-18(27)12-4-3-5-13(9-12)21(2)19(28)24-20(29)25-21/h3-10H,1-2H3,(H,22,27)(H,23,26)(H2,24,25,28,29).
What are the key properties of 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide?
3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide has a molecular weight of 390.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)benzamide is sourced from PubChem (CID 154850134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).