(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C19H21NO — CID 10107666

IUPAC(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c(cc1C)C[C@H]1c3c(cccc3-2)CCN1C
InChIInChI=1S/C19H21NO/c1-12-9-14-10-17-19-13(7-8-20(17)2)5-4-6-15(19)16(14)11-18(12)21-3/h4-6,9,11,17H,7-8,10H2,1-3H3/t17-/m0/s1
InChIKeyUYESLAHJTLBEMQ-KRWDZBQOSA-N
MW279.38 g/mol
LogP3.76
Rot. Bonds1

About (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 10107666) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID10107666
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c(cc1C)C[C@H]1c3c(cccc3-2)CCN1C
InChIInChI=1S/C19H21NO/c1-12-9-14-10-17-19-13(7-8-20(17)2)5-4-6-15(19)16(14)11-18(12)21-3/h4-6,9,11,17H,7-8,10H2,1-3H3/t17-/m0/s1
InChIKeyUYESLAHJTLBEMQ-KRWDZBQOSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline with MolForge

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Related Compounds

1,10-dimethoxy-2,6,9-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21028248
(6aS)-10-fluoro-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 19686
2-methoxy-6,11-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 162992620
1,2,8-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447064
(6aR)-10-ethyl-11-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10637496
(6aR)-2-bromo-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 67001257
1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 162973167
9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447052
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;methyl acetate
CID 121437272
(6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;hydrochloride
CID 45045237
9-bromo-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
CID 20556264
(6aS)-1,10-dimethoxy-6-methyl-2,9-bis(trideuteriomethoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 162642216

Frequently Asked Questions

What is the IUPAC name of (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 10107666) is (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1cc2c(cc1C)C[C@H]1c3c(cccc3-2)CCN1C.
What is the InChIKey of (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is UYESLAHJTLBEMQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO/c1-12-9-14-10-17-19-13(7-8-20(17)2)5-4-6-15(19)16(14)11-18(12)21-3/h4-6,9,11,17H,7-8,10H2,1-3H3/t17-/m0/s1.
What are the key properties of (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 279.38 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 10107666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).