ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate

C17H20N4O3 — CID 139782512

IUPACethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2c(C)cnc3c(N)cccc23)C1=O
InChIInChI=1S/C17H20N4O3/c1-3-24-14(22)10-20-7-8-21(17(20)23)16-11(2)9-19-15-12(16)5-4-6-13(15)18/h4-6,9H,3,7-8,10,18H2,1-2H3
InChIKeyNXKCLBRASCXWJW-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.93
Rot. Bonds4

About ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate

ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate (PubChem CID 139782512) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate
PubChem CID139782512
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Nameethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2c(C)cnc3c(N)cccc23)C1=O
InChIInChI=1S/C17H20N4O3/c1-3-24-14(22)10-20-7-8-21(17(20)23)16-11(2)9-19-15-12(16)5-4-6-13(15)18/h4-6,9H,3,7-8,10,18H2,1-2H3
InChIKeyNXKCLBRASCXWJW-UHFFFAOYSA-N
XLogP1.93
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[3-methyl-4-[3-(2-methylprop-2-enyl)-2-oxoimidazolidin-1-yl]quinolin-8-yl]pyridine-3-carboxamide
CID 139782270
ethyl 2-(8-amino-3-bromoquinolin-4-yl)acetate
CID 19592758
ethyl 2-[3-(4-bromo-2-ethylphenyl)-2-oxoimidazolidin-1-yl]acetate
CID 121468242
2,6-dichloro-N-[4-(3-ethyl-2-sulfanylideneimidazolidin-1-yl)-3-methylquinolin-8-yl]benzamide
CID 139782386
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-4-carboxamide
CID 139782439
ethyl 2-[3-[4-methyl-5-(3-phenylpropanoyl)-1,3-thiazol-2-yl]-2-oxoimidazolidin-1-yl]acetate
CID 58031592
ethyl 2-(5-amino-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345714
2-chloro-N-[3-chloro-4-(3-ethyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]pyridine-3-carboxamide
CID 139782589
3-methyl-4-propan-2-yloxyquinolin-8-amine
CID 139782280
N-(2-amino-6-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490459
N-[3-methyl-4-(3-methyl-2-oxoimidazolidin-1-yl)quinolin-8-yl]-2,3-dihydro-1H-indole-4-carboxamide
CID 139782388
1-[8-amino-4-(2,6-dimethylanilino)quinolin-3-yl]butan-1-one
CID 10449501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate (CID 139782512) is ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate is CCOC(=O)CN1CCN(c2c(C)cnc3c(N)cccc23)C1=O.
What is the InChIKey of ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is NXKCLBRASCXWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-3-24-14(22)10-20-7-8-21(17(20)23)16-11(2)9-19-15-12(16)5-4-6-13(15)18/h4-6,9H,3,7-8,10,18H2,1-2H3.
What are the key properties of ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate?
ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 328.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(8-amino-3-methylquinolin-4-yl)-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 139782512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).