9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

C17H16ClNO2 — CID 175794329

IUPAC9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESCOc1c(O)cc2c3c1-c1ccc(Cl)cc1CC3NCC2
InChIInChI=1S/C17H16ClNO2/c1-21-17-14(20)8-9-4-5-19-13-7-10-6-11(18)2-3-12(10)16(17)15(9)13/h2-3,6,8,13,19-20H,4-5,7H2,1H3
InChIKeyJWSDNUVCXZUYPB-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.46
Rot. Bonds1

About 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol

9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (PubChem CID 175794329) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.

Molecular Properties

Compound Name9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
PubChem CID175794329
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
SMILESCOc1c(O)cc2c3c1-c1ccc(Cl)cc1CC3NCC2
InChIInChI=1S/C17H16ClNO2/c1-21-17-14(20)8-9-4-5-19-13-7-10-6-11(18)2-3-12(10)16(17)15(9)13/h2-3,6,8,13,19-20H,4-5,7H2,1H3
InChIKeyJWSDNUVCXZUYPB-UHFFFAOYSA-N
XLogP3.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol with MolForge

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Related Compounds

(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
1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
CID 5320211
1,10-dimethoxy-2,9-di(propan-2-yloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 11350028
[(6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl] trifluoromethanesulfonate
CID 154049412
9-chloro-1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 21447052
(2R,3S,4R,5S,6S)-6-[[(6aS)-9-hydroxy-2,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162793294
(6aR)-2-fluoro-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrobromide
CID 11494078
(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
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
(12S)-17,18,19-trimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(19),2,4(8),9,16(20),17-hexaene
CID 163009713
11-(2-methylprop-2-enoxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol;hydrochloride
CID 175794277

Frequently Asked Questions

What is the IUPAC name of 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The IUPAC name of 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol (CID 175794329) is 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol.
What is the SMILES notation for 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The canonical SMILES for 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is COc1c(O)cc2c3c1-c1ccc(Cl)cc1CC3NCC2.
What is the InChIKey of 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
The InChIKey is JWSDNUVCXZUYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-17-14(20)8-9-4-5-19-13-7-10-6-11(18)2-3-12(10)16(17)15(9)13/h2-3,6,8,13,19-20H,4-5,7H2,1H3.
What are the key properties of 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol?
9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol has a molecular weight of 301.77 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-1-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol is sourced from PubChem (CID 175794329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).