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

C20H23NO5 — CID 981117

IUPAC(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-23-15-7-8-16-13(10-15)6-5-9-21(16)20(22)14-11-17(24-2)19(26-4)18(12-14)25-3/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZJXDIZDBPJJYCE-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.31
Rot. Bonds5

About (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 981117) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID981117
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO5/c1-23-15-7-8-16-13(10-15)6-5-9-21(16)20(22)14-11-17(24-2)19(26-4)18(12-14)25-3/h7-8,10-12H,5-6,9H2,1-4H3
InChIKeyZJXDIZDBPJJYCE-UHFFFAOYSA-N
XLogP3.31
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 981117) is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(c1)CCCN2C(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZJXDIZDBPJJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-23-15-7-8-16-13(10-15)6-5-9-21(16)20(22)14-11-17(24-2)19(26-4)18(12-14)25-3/h7-8,10-12H,5-6,9H2,1-4H3.
What are the key properties of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 357.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 981117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).