1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C19H21NO3 — CID 162973167

IUPAC1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1ccc2c(c1O)-c1c(OC)ccc3c1C(C2)N(C)CC3
InChIInChI=1S/C19H21NO3/c1-20-9-8-11-4-6-14(22-2)18-16(11)13(20)10-12-5-7-15(23-3)19(21)17(12)18/h4-7,13,21H,8-10H2,1-3H3
InChIKeyBOCPRXXDPIIUFA-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.16
Rot. Bonds2

About 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 162973167) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID162973167
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1ccc2c(c1O)-c1c(OC)ccc3c1C(C2)N(C)CC3
InChIInChI=1S/C19H21NO3/c1-20-9-8-11-4-6-14(22-2)18-16(11)13(20)10-12-5-7-15(23-3)19(21)17(12)18/h4-7,13,21H,8-10H2,1-3H3
InChIKeyBOCPRXXDPIIUFA-UHFFFAOYSA-N
XLogP3.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 162973167) is 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is COc1ccc2c(c1O)-c1c(OC)ccc3c1C(C2)N(C)CC3.
What is the InChIKey of 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is BOCPRXXDPIIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-9-8-11-4-6-14(22-2)18-16(11)13(20)10-12-5-7-15(23-3)19(21)17(12)18/h4-7,13,21H,8-10H2,1-3H3.
What are the key properties of 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 311.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 162973167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).