5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

C22H27NO6 — CID 3237675

IUPAC5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C22H27NO6/c1-6-10-29-20-13(8-7-9-16(20)25-2)14-11-18(24)23-15-12-17(26-3)21(27-4)22(28-5)19(14)15/h7-9,12,14H,6,10-11H2,1-5H3,(H,23,24)
InChIKeyXJZKOFDFXMTJPA-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.98
Rot. Bonds8

About 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one

5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3237675) has the molecular formula C22H27NO6 and a molecular weight of 401.46 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID3237675
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCCCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21
InChIInChI=1S/C22H27NO6/c1-6-10-29-20-13(8-7-9-16(20)25-2)14-11-18(24)23-15-12-17(26-3)21(27-4)22(28-5)19(14)15/h7-9,12,14H,6,10-11H2,1-5H3,(H,23,24)
InChIKeyXJZKOFDFXMTJPA-UHFFFAOYSA-N
XLogP3.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 3237675) is 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is CCCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)c(OC)c21.
What is the InChIKey of 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is XJZKOFDFXMTJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-6-10-29-20-13(8-7-9-16(20)25-2)14-11-18(24)23-15-12-17(26-3)21(27-4)22(28-5)19(14)15/h7-9,12,14H,6,10-11H2,1-5H3,(H,23,24).
What are the key properties of 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 401.46 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-(3-methoxy-2-propoxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3237675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).