8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one

C23H27NO5 — CID 110635496

IUPAC8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESCCOc1cc(C(=O)N2CCC(=O)c3cccc(C)c32)cc(OCC)c1OCC
InChIInChI=1S/C23H27NO5/c1-5-27-19-13-16(14-20(28-6-2)22(19)29-7-3)23(26)24-12-11-18(25)17-10-8-9-15(4)21(17)24/h8-10,13-14H,5-7,11-12H2,1-4H3
InChIKeyLSVWAXKACCFQRH-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.42
Rot. Bonds7

About 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one

8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one (PubChem CID 110635496) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
PubChem CID110635496
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
SMILESCCOc1cc(C(=O)N2CCC(=O)c3cccc(C)c32)cc(OCC)c1OCC
InChIInChI=1S/C23H27NO5/c1-5-27-19-13-16(14-20(28-6-2)22(19)29-7-3)23(26)24-12-11-18(25)17-10-8-9-15(4)21(17)24/h8-10,13-14H,5-7,11-12H2,1-4H3
InChIKeyLSVWAXKACCFQRH-UHFFFAOYSA-N
XLogP4.42
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 110636985
1-acetyl-8-methyl-2,3-dihydroquinolin-4-one
CID 110635435
(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835683
8-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110635490
2-[2-(8-methyl-4-oxo-2,3-dihydroquinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110635478
1-(3-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635357
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
8-methoxy-1-(4-propan-2-ylbenzoyl)-2,3-dihydroquinolin-4-one
CID 110635326
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one (CID 110635496) is 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one is CCOc1cc(C(=O)N2CCC(=O)c3cccc(C)c32)cc(OCC)c1OCC.
What is the InChIKey of 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one?
The InChIKey is LSVWAXKACCFQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-5-27-19-13-16(14-20(28-6-2)22(19)29-7-3)23(26)24-12-11-18(25)17-10-8-9-15(4)21(17)24/h8-10,13-14H,5-7,11-12H2,1-4H3.
What are the key properties of 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one?
8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one has a molecular weight of 397.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110635496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).