1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one

C25H31NO5 — CID 141066116

IUPAC1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
SMILESCOc1ccc2c(c1)-c1c(OC)c(OC(C)C)c(OC(C)C)c3c1C(C2=O)N(C)CC3
InChIInChI=1S/C25H31NO5/c1-13(2)30-23-17-10-11-26(5)21-19(17)20(24(29-7)25(23)31-14(3)4)18-12-15(28-6)8-9-16(18)22(21)27/h8-9,12-14,21H,10-11H2,1-7H3
InChIKeyRDWJUFXFTLIANS-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.67
Rot. Bonds6

About 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one

1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one (PubChem CID 141066116) has the molecular formula C25H31NO5 and a molecular weight of 425.53 g/mol. Its IUPAC name is 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one.

Molecular Properties

Compound Name1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
PubChem CID141066116
Molecular FormulaC25H31NO5
Molecular Weight425.53 g/mol
Exact Mass425.22
IUPAC Name1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
SMILESCOc1ccc2c(c1)-c1c(OC)c(OC(C)C)c(OC(C)C)c3c1C(C2=O)N(C)CC3
InChIInChI=1S/C25H31NO5/c1-13(2)30-23-17-10-11-26(5)21-19(17)20(24(29-7)25(23)31-14(3)4)18-12-15(28-6)8-9-16(18)22(21)27/h8-9,12-14,21H,10-11H2,1-7H3
InChIKeyRDWJUFXFTLIANS-UHFFFAOYSA-N
XLogP4.67
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 141066118
1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 101438362
ethyl 6,7,8,13-tetramethoxy-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15),11,13-hexaene-2-carboxylate
CID 71606930
1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
CID 162914595
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
CID 11119117
1,2,3,4,7-pentamethoxy-10H-anthracen-9-one
CID 141406927
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
CID 90078933
2-(2-fluoro-4-propan-2-yloxyphenyl)-6-methoxy-3,4-dihydroisoquinolin-1-one
CID 118184870
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
7-methoxy-3-methyl-2H-1,3-benzoxazin-4-one
CID 162417326

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The IUPAC name of 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one (CID 141066116) is 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one.
What is the SMILES notation for 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The canonical SMILES for 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one is COc1ccc2c(c1)-c1c(OC)c(OC(C)C)c(OC(C)C)c3c1C(C2=O)N(C)CC3.
What is the InChIKey of 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
The InChIKey is RDWJUFXFTLIANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31NO5/c1-13(2)30-23-17-10-11-26(5)21-19(17)20(24(29-7)25(23)31-14(3)4)18-12-15(28-6)8-9-16(18)22(21)27/h8-9,12-14,21H,10-11H2,1-7H3.
What are the key properties of 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one?
1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one has a molecular weight of 425.53 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethoxy-6-methyl-2,3-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one is sourced from PubChem (CID 141066116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).