[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate

C16H15N3O5 — CID 167814123

IUPAC[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate
SMILESCOc1cnc2ccccc2c1C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C16H15N3O5/c1-23-12-8-18-11-5-3-2-4-10(11)14(12)15(21)24-9-13(20)19-7-6-17-16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,22)
InChIKeyWAINGHCGHLUZMJ-UHFFFAOYSA-N
MW329.31 g/mol
LogP0.95
Rot. Bonds4

About [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate

[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate (PubChem CID 167814123) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate
PubChem CID167814123
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate
SMILESCOc1cnc2ccccc2c1C(=O)OCC(=O)N1CCNC1=O
InChIInChI=1S/C16H15N3O5/c1-23-12-8-18-11-5-3-2-4-10(11)14(12)15(21)24-9-13(20)19-7-6-17-16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,22)
InChIKeyWAINGHCGHLUZMJ-UHFFFAOYSA-N
XLogP0.95
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-O-methyl 2-O-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] benzene-1,2-dicarboxylate
CID 56505352
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-ethoxybenzoate
CID 7758181
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxy-4-(2-methylpropoxy)benzoate
CID 7194469
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] pyridine-4-carboxylate
CID 7783725
(3-methoxyquinolin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 110849120
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550891
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 8908985
N,N-diethyl-3-methoxyquinoline-4-carboxamide
CID 110855209
1-[2-(2-bromophenoxy)acetyl]imidazolidin-2-one
CID 9466285
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 8524743
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8527890

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate (CID 167814123) is [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate is COc1cnc2ccccc2c1C(=O)OCC(=O)N1CCNC1=O.
What is the InChIKey of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate?
The InChIKey is WAINGHCGHLUZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-12-8-18-11-5-3-2-4-10(11)14(12)15(21)24-9-13(20)19-7-6-17-16(19)22/h2-5,8H,6-7,9H2,1H3,(H,17,22).
What are the key properties of [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate?
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate has a molecular weight of 329.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-methoxyquinoline-4-carboxylate is sourced from PubChem (CID 167814123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).