1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone

C18H20Cl2N2O2 — CID 163227272

IUPAC1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone
SMILESCOCC(=O)N1Cc2c([nH]c3c(Cl)c(Cl)ccc23)C2CCCCC21
InChIInChI=1S/C18H20Cl2N2O2/c1-24-9-15(23)22-8-12-10-6-7-13(19)16(20)18(10)21-17(12)11-4-2-3-5-14(11)22/h6-7,11,14,21H,2-5,8-9H2,1H3
InChIKeyMGAMKVRQVJLKDD-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.49
Rot. Bonds2

About 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone

1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone (PubChem CID 163227272) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone
PubChem CID163227272
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone
SMILESCOCC(=O)N1Cc2c([nH]c3c(Cl)c(Cl)ccc23)C2CCCCC21
InChIInChI=1S/C18H20Cl2N2O2/c1-24-9-15(23)22-8-12-10-6-7-13(19)16(20)18(10)21-17(12)11-4-2-3-5-14(11)22/h6-7,11,14,21H,2-5,8-9H2,1H3
InChIKeyMGAMKVRQVJLKDD-UHFFFAOYSA-N
XLogP4.49
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone with MolForge

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Related Compounds

(s)-1-(6,7-Dichloro-1-methyl-1,3,4,5-tetrahydro-2h-pyrido[4,3-b]indol-2-yl)-2-methoxyethan-1-one
CID 170666990
(2Z,4E)-5-(5,6-Dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethyl piperidin-4-yl)-2,4-pentadienamide
CID 9890618
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-N-[3-(diethylamino)propyl]-2-methoxypenta-2,4-dienamide
CID 9979752
(2E,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)penta-2,4-dienamide
CID 11510991
(2Z,4E)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
CID 22397580
(2Z,4Z)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)penta-2,4-dienamide
CID 44346597
1-{6,8-dichloro-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-methoxyethan-1-one
CID 51092096
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)penta-2,4-dienamide
CID 9803809
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]penta-2,4-dienamide
CID 10388191
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]penta-2,4-dienamide
CID 44533166
(2Z,4E)-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxy-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]penta-2,4-dienamide
CID 44533167
(2Z,4E)-N-[3-(4-benzylpiperazin-1-yl)propyl]-5-(5,6-dichloro-1H-indol-2-yl)-2-methoxypenta-2,4-dienamide
CID 44533380

Frequently Asked Questions

What is the IUPAC name of 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone?
The IUPAC name of 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone (CID 163227272) is 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone?
The canonical SMILES for 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone is COCC(=O)N1Cc2c([nH]c3c(Cl)c(Cl)ccc23)C2CCCCC21.
What is the InChIKey of 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone?
The InChIKey is MGAMKVRQVJLKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-24-9-15(23)22-8-12-10-6-7-13(19)16(20)18(10)21-17(12)11-4-2-3-5-14(11)22/h6-7,11,14,21H,2-5,8-9H2,1H3.
What are the key properties of 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone?
1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone has a molecular weight of 367.28 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9,10-dichloro-1,2,3,4,4a,6,11,11b-octahydroindolo[3,2-c]quinolin-5-yl)-2-methoxyethanone is sourced from PubChem (CID 163227272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).