(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H21NO5 — CID 110636672

IUPAC(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C19H21NO5/c1-23-12-7-8-14-13(11-12)15(21)9-10-20(14)19(22)18-16(24-2)5-4-6-17(18)25-3/h4-8,11,15,21H,9-10H2,1-3H3
InChIKeyUERRSNPJACCGCA-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone

(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 110636672) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID110636672
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCOc1ccc2c(c1)C(O)CCN2C(=O)c1c(OC)cccc1OC
InChIInChI=1S/C19H21NO5/c1-23-12-7-8-14-13(11-12)15(21)9-10-20(14)19(22)18-16(24-2)5-4-6-17(18)25-3/h4-8,11,15,21H,9-10H2,1-3H3
InChIKeyUERRSNPJACCGCA-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

(3,6-dichloro-2-methoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636721
(4-fluorophenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110636661
4-hydroxy-6-methoxy-N-phenyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636695
2-(3,4-dimethoxyphenyl)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636703
(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110636711
(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 110637097
4-hydroxy-6-methoxy-N-propyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636732
1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-3-phenoxypropan-1-one
CID 110636690
(3,4-dichlorophenyl)-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637100
2-(2,4-dichlorophenoxy)-1-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 110636689
cyclobutyl-(4-hydroxy-7-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110637163
(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110636820

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 110636672) is (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is COc1ccc2c(c1)C(O)CCN2C(=O)c1c(OC)cccc1OC.
What is the InChIKey of (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UERRSNPJACCGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-12-7-8-14-13(11-12)15(21)9-10-20(14)19(22)18-16(24-2)5-4-6-17(18)25-3/h4-8,11,15,21H,9-10H2,1-3H3.
What are the key properties of (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone?
(2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)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 (2,6-dimethoxyphenyl)-(4-hydroxy-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 110636672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).