(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate

C20H19N3O4 — CID 47581087

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1cc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)ccc1N1CCNC1=O
InChIInChI=1S/C20H19N3O4/c1-12-10-14(2-6-17(12)23-9-8-21-20(23)26)19(25)27-15-4-5-16-13(11-15)3-7-18(24)22-16/h2,4-6,10-11H,3,7-9H2,1H3,(H,21,26)(H,22,24)
InChIKeyRZPUIEYRCPOJSA-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.63
Rot. Bonds3

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate (PubChem CID 47581087) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
PubChem CID47581087
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
SMILESCc1cc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)ccc1N1CCNC1=O
InChIInChI=1S/C20H19N3O4/c1-12-10-14(2-6-17(12)23-9-8-21-20(23)26)19(25)27-15-4-5-16-13(11-15)3-7-18(24)22-16/h2,4-6,10-11H,3,7-9H2,1H3,(H,21,26)(H,22,24)
InChIKeyRZPUIEYRCPOJSA-UHFFFAOYSA-N
XLogP2.63
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
CID 51329778
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18275651
1-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 115370632
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylsulfonylbenzoate
CID 18266738
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
2-(4-ethoxyphenoxy)ethyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 17483624

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate (CID 47581087) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate is Cc1cc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)ccc1N1CCNC1=O.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
The InChIKey is RZPUIEYRCPOJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-12-10-14(2-6-17(12)23-9-8-21-20(23)26)19(25)27-15-4-5-16-13(11-15)3-7-18(24)22-16/h2,4-6,10-11H,3,7-9H2,1H3,(H,21,26)(H,22,24).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate has a molecular weight of 365.39 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate is sourced from PubChem (CID 47581087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).