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

C25H25Cl2N3O3 — CID 20604539

IUPAC2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(Cc4c(Cl)cccc4Cl)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C25H25Cl2N3O3/c1-32-22-7-2-4-17-23-21(30(24(17)22)11-10-28-12-14-33-15-13-28)8-9-29(25(23)31)16-18-19(26)5-3-6-20(18)27/h2-9H,10-16H2,1H3
InChIKeyBRHLJCIFRKSMPL-UHFFFAOYSA-N
MW486.40 g/mol
LogP4.65
Rot. Bonds6

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

2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (PubChem CID 20604539) has the molecular formula C25H25Cl2N3O3 and a molecular weight of 486.40 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
PubChem CID20604539
Molecular FormulaC25H25Cl2N3O3
Molecular Weight486.40 g/mol
Exact Mass485.13
IUPAC Name2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(Cc4c(Cl)cccc4Cl)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C25H25Cl2N3O3/c1-32-22-7-2-4-17-23-21(30(24(17)22)11-10-28-12-14-33-15-13-28)8-9-29(25(23)31)16-18-19(26)5-3-6-20(18)27/h2-9H,10-16H2,1H3
InChIKeyBRHLJCIFRKSMPL-UHFFFAOYSA-N
XLogP4.65
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (CID 20604539) is 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is COc1cccc2c3c(=O)n(Cc4c(Cl)cccc4Cl)ccc3n(CCN3CCOCC3)c12.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The InChIKey is BRHLJCIFRKSMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O3/c1-32-22-7-2-4-17-23-21(30(24(17)22)11-10-28-12-14-33-15-13-28)8-9-29(25(23)31)16-18-19(26)5-3-6-20(18)27/h2-9H,10-16H2,1H3.
What are the key properties of 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one has a molecular weight of 486.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 20604539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).