1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol

C19H21NO5 — CID 14378685

IUPAC1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
SMILESCOc1ccc2c(c1O)-c1c(OC)c(OC)c(O)c3c1C(C2)NCC3
InChIInChI=1S/C19H21NO5/c1-23-12-5-4-9-8-11-14-10(6-7-20-11)16(21)19(25-3)18(24-2)15(14)13(9)17(12)22/h4-5,11,20-22H,6-8H2,1-3H3
InChIKeyBVPOIURGGIALFW-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.53
Rot. Bonds3

About 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol

1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol (PubChem CID 14378685) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol.

Molecular Properties

Compound Name1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
PubChem CID14378685
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
SMILESCOc1ccc2c(c1O)-c1c(OC)c(OC)c(O)c3c1C(C2)NCC3
InChIInChI=1S/C19H21NO5/c1-23-12-5-4-9-8-11-14-10(6-7-20-11)16(21)19(25-3)18(24-2)15(14)13(9)17(12)22/h4-5,11,20-22H,6-8H2,1-3H3
InChIKeyBVPOIURGGIALFW-UHFFFAOYSA-N
XLogP2.53
TPSA80.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol with MolForge

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Related Compounds

(6aR)-1,2,3,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 163036989
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol
CID 14378683
(6aS)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
CID 101426476
(6aR)-10-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol
CID 6454271
(12R)-17,18-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaen-19-ol
CID 102284335
1-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-5-yl)-2-(11-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)ethane-1,2-diol
CID 101497866
(12S)-7,16,17-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-15-ol
CID 163087632
17,18-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
CID 163023626
9,10,11-trimethoxy-5-azatricyclo[6.3.1.04,12]dodeca-1(11),8(12),9-trien-2-one
CID 171976359
(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 58613152
ethane;(11-hydroxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl) acetate
CID 153398831

Frequently Asked Questions

What is the IUPAC name of 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol?
The IUPAC name of 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol (CID 14378685) is 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol.
What is the SMILES notation for 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol?
The canonical SMILES for 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol is COc1ccc2c(c1O)-c1c(OC)c(OC)c(O)c3c1C(C2)NCC3.
What is the InChIKey of 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol?
The InChIKey is BVPOIURGGIALFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-12-5-4-9-8-11-14-10(6-7-20-11)16(21)19(25-3)18(24-2)15(14)13(9)17(12)22/h4-5,11,20-22H,6-8H2,1-3H3.
What are the key properties of 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol?
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol has a molecular weight of 343.38 g/mol, XLogP of 2.53, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3,11-diol is sourced from PubChem (CID 14378685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).