(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate

C18H17NO5 — CID 51329778

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1OC
InChIInChI=1S/C18H17NO5/c1-22-15-7-3-12(10-16(15)23-2)18(21)24-13-5-6-14-11(9-13)4-8-17(20)19-14/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,20)
InChIKeyWNHSLBVCCIWQCC-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.81
Rot. Bonds4

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate (PubChem CID 51329778) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
PubChem CID51329778
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1OC
InChIInChI=1S/C18H17NO5/c1-22-15-7-3-12(10-16(15)23-2)18(21)24-13-5-6-14-11(9-13)4-8-17(20)19-14/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,20)
InChIKeyWNHSLBVCCIWQCC-UHFFFAOYSA-N
XLogP2.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 18571300
methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 9451992
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 3-ethoxy-4-methoxybenzoate
CID 9484719
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-cyanobenzoate
CID 18288037
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(dimethylsulfamoyl)benzoate
CID 18226763
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(difluoromethylsulfonyl)benzoate
CID 18270386
(3,4-dimethylphenyl) 3,4-dimethoxybenzoate
CID 723808
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-morpholin-4-ylbenzoate
CID 95047735
3-fluoro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891709
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-methyl-4-(2-oxoimidazolidin-1-yl)benzoate
CID 47581087
[4-(4-methoxybenzoyl)oxyphenyl] 3,4-dimethoxybenzoate
CID 144750223
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate (CID 51329778) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate is COc1ccc(C(=O)Oc2ccc3c(c2)CCC(=O)N3)cc1OC.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate?
The InChIKey is WNHSLBVCCIWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-22-15-7-3-12(10-16(15)23-2)18(21)24-13-5-6-14-11(9-13)4-8-17(20)19-14/h3,5-7,9-10H,4,8H2,1-2H3,(H,19,20).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate has a molecular weight of 327.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3,4-dimethoxybenzoate is sourced from PubChem (CID 51329778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).