(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H21NO5 — CID 110636820

IUPAC(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H21NO5/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)20-9-8-15(21)13-6-4-5-7-14(13)20/h4-7,10-11,15,21H,8-9H2,1-3H3
InChIKeyKJRFHMHMJNNHCS-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds4

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

(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 110636820) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID110636820
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC(O)c3ccccc32)cc(OC)c1OC
InChIInChI=1S/C19H21NO5/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)20-9-8-15(21)13-6-4-5-7-14(13)20/h4-7,10-11,15,21H,8-9H2,1-3H3
InChIKeyKJRFHMHMJNNHCS-UHFFFAOYSA-N
XLogP2.80
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
(2,6-dihydroxyphenyl)-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 107690164
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636672
phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2-methylphenoxy)ethanone
CID 110709445
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114767
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772095
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772096

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 110636820) is (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCC(O)c3ccccc32)cc(OC)c1OC.
What is the InChIKey of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is KJRFHMHMJNNHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-10-12(11-17(24-2)18(16)25-3)19(22)20-9-8-15(21)13-6-4-5-7-14(13)20/h4-7,10-11,15,21H,8-9H2,1-3H3.
What are the key properties of (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 343.38 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 110636820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).