6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one

C29H39N3O3 — CID 10277327

IUPAC6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(C4C5(C)CCC(C5)C4(C)C)c(C)cc3n(CCN3CCOCC3)c12
InChIInChI=1S/C29H39N3O3/c1-19-17-22-24(26(33)32(19)27-28(2,3)20-9-10-29(27,4)18-20)21-7-6-8-23(34-5)25(21)31(22)12-11-30-13-15-35-16-14-30/h6-8,17,20,27H,9-16,18H2,1-5H3
InChIKeyIXRYTNLKTSMYBW-UHFFFAOYSA-N
MW477.65 g/mol
LogP4.99
Rot. Bonds5

About 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one

6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one (PubChem CID 10277327) has the molecular formula C29H39N3O3 and a molecular weight of 477.65 g/mol. Its IUPAC name is 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one
PubChem CID10277327
Molecular FormulaC29H39N3O3
Molecular Weight477.65 g/mol
Exact Mass477.30
IUPAC Name6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(C4C5(C)CCC(C5)C4(C)C)c(C)cc3n(CCN3CCOCC3)c12
InChIInChI=1S/C29H39N3O3/c1-19-17-22-24(26(33)32(19)27-28(2,3)20-9-10-29(27,4)18-20)21-7-6-8-23(34-5)25(21)31(22)12-11-30-13-15-35-16-14-30/h6-8,17,20,27H,9-16,18H2,1-5H3
InChIKeyIXRYTNLKTSMYBW-UHFFFAOYSA-N
XLogP4.99
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one with MolForge

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Related Compounds

6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrido[4,3-b]indol-1-one
CID 70024147
6-methoxy-5-(2-morpholin-4-ylethyl)-2-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-10H-benzo[b][1,6]naphthyridin-1-one
CID 91099200
2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
CID 20604540
5-fluoro-7-methoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196301
6-methoxy-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
CID 59111994
2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
CID 20604539
7-methoxy-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indazole-3-carboxamide
CID 10928335
7-methoxy-2-methyl-1-(2-pyrrolidin-1-ylethyl)-N-[(1S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 163684338
6,7-dimethoxy-2-methyl-1-(2-morpholin-4-ylethyl)-N-[(1S,2S,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]indole-3-carboxamide
CID 101196288
1-(2-morpholin-4-ylethyl)-2-phenyl-5-[(1S,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-5,6-dihydro-1,6-naphthyridin-4-one
CID 20604357
8-methoxy-3-(2-morpholin-4-ylethyl)quinazolin-4-one
CID 39782631
N-(4-tert-butylphenyl)-N-methylformamide;4-[2-(7-methoxy-2,3-dimethylindol-1-yl)ethyl]morpholine
CID 142080613

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one?
The IUPAC name of 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one (CID 10277327) is 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one?
The canonical SMILES for 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one is COc1cccc2c3c(=O)n(C4C5(C)CCC(C5)C4(C)C)c(C)cc3n(CCN3CCOCC3)c12.
What is the InChIKey of 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one?
The InChIKey is IXRYTNLKTSMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O3/c1-19-17-22-24(26(33)32(19)27-28(2,3)20-9-10-29(27,4)18-20)21-7-6-8-23(34-5)25(21)31(22)12-11-30-13-15-35-16-14-30/h6-8,17,20,27H,9-16,18H2,1-5H3.
What are the key properties of 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one?
6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one has a molecular weight of 477.65 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-methyl-5-(2-morpholin-4-ylethyl)-2-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 10277327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).