(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone

C23H29NO5 — CID 110636985

IUPAC(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC(O)c3cccc(C)c32)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO5/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/h8-10,13-14,18,25H,5-7,11-12H2,1-4H3
InChIKeyUHLWFBFTPIPSQG-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.28
Rot. Bonds7

About (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone

(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone (PubChem CID 110636985) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
PubChem CID110636985
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCC(O)c3cccc(C)c32)cc(OCC)c1OCC
InChIInChI=1S/C23H29NO5/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/h8-10,13-14,18,25H,5-7,11-12H2,1-4H3
InChIKeyUHLWFBFTPIPSQG-UHFFFAOYSA-N
XLogP4.28
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-1-(3,4,5-triethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110635496
2-(4-ethoxyphenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636961
1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110636963
(3-chloro-4-ethoxy-5-methoxyphenyl)-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835683
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
2-(4-fluorophenyl)-1-(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636958
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879
N-[4-(5-hydroxy-9-methyl-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]-2-methylbenzamide
CID 132822145
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
[1-(2-ethoxyphenyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(3,4,5-triethoxyphenyl)methanone
CID 5133333
[2,5-dimethyl-4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 4079895

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone (CID 110636985) is (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCC(O)c3cccc(C)c32)cc(OCC)c1OCC.
What is the InChIKey of (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is UHLWFBFTPIPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/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/h8-10,13-14,18,25H,5-7,11-12H2,1-4H3.
What are the key properties of (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone?
(4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 399.49 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 110636985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).