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

C30H30N4O3 — CID 10939965

IUPAC6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(C(c4ccccc4)c4ccccn4)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C30H30N4O3/c1-36-26-12-7-10-23-27-25(33(29(23)26)17-16-32-18-20-37-21-19-32)13-15-34(30(27)35)28(22-8-3-2-4-9-22)24-11-5-6-14-31-24/h2-15,28H,16-21H2,1H3
InChIKeyPFZTUPUICUYCOT-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.33
Rot. Bonds7

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

6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one (PubChem CID 10939965) has the molecular formula C30H30N4O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one
PubChem CID10939965
Molecular FormulaC30H30N4O3
Molecular Weight494.60 g/mol
Exact Mass494.23
IUPAC Name6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(C(c4ccccc4)c4ccccn4)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C30H30N4O3/c1-36-26-12-7-10-23-27-25(33(29(23)26)17-16-32-18-20-37-21-19-32)13-15-34(30(27)35)28(22-8-3-2-4-9-22)24-11-5-6-14-31-24/h2-15,28H,16-21H2,1H3
InChIKeyPFZTUPUICUYCOT-UHFFFAOYSA-N
XLogP4.33
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one?
The IUPAC name of 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one (CID 10939965) is 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one?
The canonical SMILES for 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one is COc1cccc2c3c(=O)n(C(c4ccccc4)c4ccccn4)ccc3n(CCN3CCOCC3)c12.
What is the InChIKey of 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one?
The InChIKey is PFZTUPUICUYCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O3/c1-36-26-12-7-10-23-27-25(33(29(23)26)17-16-32-18-20-37-21-19-32)13-15-34(30(27)35)28(22-8-3-2-4-9-22)24-11-5-6-14-31-24/h2-15,28H,16-21H2,1H3.
What are the key properties of 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one?
6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one has a molecular weight of 494.60 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2-morpholin-4-ylethyl)-2-[phenyl(pyridin-2-yl)methyl]pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 10939965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).