(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol

C17H17NO3 — CID 6454271

IUPAC(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
SMILESCOc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)NCC3
InChIInChI=1S/C17H17NO3/c1-21-14-3-2-9-7-13-15-10(4-5-18-13)6-11(19)8-12(15)16(9)17(14)20/h2-3,6,8,13,18-20H,4-5,7H2,1H3/t13-/m1/s1
InChIKeyZSRHWFGUMVUQOV-CYBMUJFWSA-N
MW283.33 g/mol
LogP2.52
Rot. Bonds1

About (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol

(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol (PubChem CID 6454271) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol.

Molecular Properties

Compound Name(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
PubChem CID6454271
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
SMILESCOc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)NCC3
InChIInChI=1S/C17H17NO3/c1-21-14-3-2-9-7-13-15-10(4-5-18-13)6-11(19)8-12(15)16(9)17(14)20/h2-3,6,8,13,18-20H,4-5,7H2,1H3/t13-/m1/s1
InChIKeyZSRHWFGUMVUQOV-CYBMUJFWSA-N
XLogP2.52
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol?
The IUPAC name of (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol (CID 6454271) is (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol.
What is the SMILES notation for (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol?
The canonical SMILES for (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol is COc1ccc2c(c1O)-c1cc(O)cc3c1[C@@H](C2)NCC3.
What is the InChIKey of (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol?
The InChIKey is ZSRHWFGUMVUQOV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17NO3/c1-21-14-3-2-9-7-13-15-10(4-5-18-13)6-11(19)8-12(15)16(9)17(14)20/h2-3,6,8,13,18-20H,4-5,7H2,1H3/t13-/m1/s1.
What are the key properties of (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol?
(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol has a molecular weight of 283.33 g/mol, XLogP of 2.52, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol is sourced from PubChem (CID 6454271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).