1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one

C18H17NO4 — CID 139623169

IUPAC1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(C(=O)N2C(=O)CCc3ccccc32)cc1OC
InChIInChI=1S/C18H17NO4/c1-22-15-9-7-13(11-16(15)23-2)18(21)19-14-6-4-3-5-12(14)8-10-17(19)20/h3-7,9,11H,8,10H2,1-2H3
InChIKeyRSRFUWOKNBGVSP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.82
Rot. Bonds3

About 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one

1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one (PubChem CID 139623169) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
PubChem CID139623169
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one
SMILESCOc1ccc(C(=O)N2C(=O)CCc3ccccc32)cc1OC
InChIInChI=1S/C18H17NO4/c1-22-15-9-7-13(11-16(15)23-2)18(21)19-14-6-4-3-5-12(14)8-10-17(19)20/h3-7,9,11H,8,10H2,1-2H3
InChIKeyRSRFUWOKNBGVSP-UHFFFAOYSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(3-methoxy-4-methylphenyl)methanone
CID 51229053
1-(3,4-dimethoxybenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 118856568
(3-bromo-4-methoxyphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 675985
2-(3,4-dimethoxybenzoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212854
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(2,3-dihydroindol-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 20822842
2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 51160588
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzoic acid
CID 63743437
2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
(3,4-dimethoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 670467

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one (CID 139623169) is 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one is COc1ccc(C(=O)N2C(=O)CCc3ccccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one?
The InChIKey is RSRFUWOKNBGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-22-15-9-7-13(11-16(15)23-2)18(21)19-14-6-4-3-5-12(14)8-10-17(19)20/h3-7,9,11H,8,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one?
1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one has a molecular weight of 311.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxybenzoyl)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 139623169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).