1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol

C19H21NO4 — CID 162914595

IUPAC1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
SMILESCOc1ccc2c(c1)C(O)C1c3c(cc(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C19H21NO4/c1-20-7-6-10-8-14(21)19(24-3)16-12-5-4-11(23-2)9-13(12)18(22)17(20)15(10)16/h4-5,8-9,17-18,21-22H,6-7H2,1-3H3
InChIKeyDTFYFRUDZJDDCD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.65
Rot. Bonds2

About 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol

1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol (PubChem CID 162914595) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol.

Molecular Properties

Compound Name1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
PubChem CID162914595
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol
SMILESCOc1ccc2c(c1)C(O)C1c3c(cc(O)c(OC)c3-2)CCN1C
InChIInChI=1S/C19H21NO4/c1-20-7-6-10-8-14(21)19(24-3)16-12-5-4-11(23-2)9-13(12)18(22)17(20)15(10)16/h4-5,8-9,17-18,21-22H,6-7H2,1-3H3
InChIKeyDTFYFRUDZJDDCD-UHFFFAOYSA-N
XLogP2.65
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol with MolForge

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Related Compounds

(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;hydrochloride
CID 45045237
7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-1-thiol
CID 116995793
3,4,7-trimethoxy-9H-fluoren-2-ol
CID 174383532
2-(7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)propan-2-ol
CID 116995809
7-methoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 122468703
8-amino-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 159930923
(8R)-5,13,14,15-tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-ol
CID 24754568
(6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol;hydrobromide
CID 172885215
8-(aminomethyl)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 156824559
1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
CID 158495925
(6aR)-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 44559867
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

Frequently Asked Questions

What is the IUPAC name of 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol?
The IUPAC name of 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol (CID 162914595) is 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol.
What is the SMILES notation for 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol?
The canonical SMILES for 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol is COc1ccc2c(c1)C(O)C1c3c(cc(O)c(OC)c3-2)CCN1C.
What is the InChIKey of 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol?
The InChIKey is DTFYFRUDZJDDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-20-7-6-10-8-14(21)19(24-3)16-12-5-4-11(23-2)9-13(12)18(22)17(20)15(10)16/h4-5,8-9,17-18,21-22H,6-7H2,1-3H3.
What are the key properties of 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol?
1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol has a molecular weight of 327.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,7-diol is sourced from PubChem (CID 162914595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).