6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one

C20H21NO5 — CID 110634843

IUPAC6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cc(C(=O)N2CCC(=O)c3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO5/c1-12-5-6-15-14(9-12)16(22)7-8-21(15)20(23)13-10-17(24-2)19(26-4)18(11-13)25-3/h5-6,9-11H,7-8H2,1-4H3
InChIKeySNNCEFSUEUDTCE-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.25
Rot. Bonds4

About 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one

6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110634843) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID110634843
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESCOc1cc(C(=O)N2CCC(=O)c3cc(C)ccc32)cc(OC)c1OC
InChIInChI=1S/C20H21NO5/c1-12-5-6-15-14(9-12)16(22)7-8-21(15)20(23)13-10-17(24-2)19(26-4)18(11-13)25-3/h5-6,9-11H,7-8H2,1-4H3
InChIKeySNNCEFSUEUDTCE-UHFFFAOYSA-N
XLogP3.25
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
CID 110634868
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607937
(3,5-dimethoxy-4-methylphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288929
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110359620
2-[2-chloro-6-methoxy-4-(6-methyl-2,3-dihydroindole-1-carbonyl)phenoxy]acetamide
CID 86873010
[(4aR,9bS)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114061

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one (CID 110634843) is 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one is COc1cc(C(=O)N2CCC(=O)c3cc(C)ccc32)cc(OC)c1OC.
What is the InChIKey of 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is SNNCEFSUEUDTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-12-5-6-15-14(9-12)16(22)7-8-21(15)20(23)13-10-17(24-2)19(26-4)18(11-13)25-3/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one?
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 355.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).