9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

C19H20BrNO3 — CID 20556264

IUPAC9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c(cc1Br)CC1c3c(cc(OC)c(O)c3-2)CCN1C
InChIInChI=1S/C19H20BrNO3/c1-21-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)13(20)6-11(12)7-14(21)17(10)18/h6,8-9,14,22H,4-5,7H2,1-3H3
InChIKeyVZQBTYBRLDPKEZ-UHFFFAOYSA-N
MW390.28 g/mol
LogP3.92
Rot. Bonds2

About 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (PubChem CID 20556264) has the molecular formula C19H20BrNO3 and a molecular weight of 390.28 g/mol. Its IUPAC name is 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.

Molecular Properties

Compound Name9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
PubChem CID20556264
Molecular FormulaC19H20BrNO3
Molecular Weight390.28 g/mol
Exact Mass389.06
IUPAC Name9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
SMILESCOc1cc2c(cc1Br)CC1c3c(cc(OC)c(O)c3-2)CCN1C
InChIInChI=1S/C19H20BrNO3/c1-21-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)13(20)6-11(12)7-14(21)17(10)18/h6,8-9,14,22H,4-5,7H2,1-3H3
InChIKeyVZQBTYBRLDPKEZ-UHFFFAOYSA-N
XLogP3.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The IUPAC name of 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (CID 20556264) is 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.
What is the SMILES notation for 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The canonical SMILES for 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is COc1cc2c(cc1Br)CC1c3c(cc(OC)c(O)c3-2)CCN1C.
What is the InChIKey of 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
The InChIKey is VZQBTYBRLDPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO3/c1-21-5-4-10-8-16(24-3)19(22)18-12-9-15(23-2)13(20)6-11(12)7-14(21)17(10)18/h6,8-9,14,22H,4-5,7H2,1-3H3.
What are the key properties of 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?
9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol has a molecular weight of 390.28 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is sourced from PubChem (CID 20556264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).