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

C22H27NO6 — CID 3162326

IUPAC5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC(C)C
InChIInChI=1S/C22H27NO6/c1-12(2)29-20-13(8-7-9-16(20)25-3)14-10-18(24)23-15-11-17(26-4)21(27-5)22(28-6)19(14)15/h7-9,11-12,14H,10H2,1-6H3,(H,23,24)
InChIKeyOLMLIRKVNQKLFO-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.98
Rot. Bonds7

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

5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3162326) 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-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID3162326
Molecular FormulaC22H27NO6
Molecular Weight401.46 g/mol
Exact Mass401.18
IUPAC Name5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1cccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC(C)C
InChIInChI=1S/C22H27NO6/c1-12(2)29-20-13(8-7-9-16(20)25-3)14-10-18(24)23-15-11-17(26-4)21(27-5)22(28-6)19(14)15/h7-9,11-12,14H,10H2,1-6H3,(H,23,24)
InChIKeyOLMLIRKVNQKLFO-UHFFFAOYSA-N
XLogP3.98
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one (CID 3162326) is 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is COc1cccc(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1OC(C)C.
What is the InChIKey of 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OLMLIRKVNQKLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6/c1-12(2)29-20-13(8-7-9-16(20)25-3)14-10-18(24)23-15-11-17(26-4)21(27-5)22(28-6)19(14)15/h7-9,11-12,14H,10H2,1-6H3,(H,23,24).
What are the key properties of 5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one?
5,6,7-trimethoxy-4-(3-methoxy-2-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 401.46 g/mol, XLogP of 3.98, 7 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-propan-2-yloxyphenyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3162326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).