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

C25H26FN3O3 — CID 20604540

IUPAC2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(Cc4ccc(F)cc4)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C25H26FN3O3/c1-31-22-4-2-3-20-23-21(29(24(20)22)12-11-27-13-15-32-16-14-27)9-10-28(25(23)30)17-18-5-7-19(26)8-6-18/h2-10H,11-17H2,1H3
InChIKeyAUXAJASBQDHYPP-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.48
Rot. Bonds6

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

2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (PubChem CID 20604540) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
PubChem CID20604540
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one
SMILESCOc1cccc2c3c(=O)n(Cc4ccc(F)cc4)ccc3n(CCN3CCOCC3)c12
InChIInChI=1S/C25H26FN3O3/c1-31-22-4-2-3-20-23-21(29(24(20)22)12-11-27-13-15-32-16-14-27)9-10-28(25(23)30)17-18-5-7-19(26)8-6-18/h2-10H,11-17H2,1H3
InChIKeyAUXAJASBQDHYPP-UHFFFAOYSA-N
XLogP3.48
TPSA48.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one (CID 20604540) is 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is COc1cccc2c3c(=O)n(Cc4ccc(F)cc4)ccc3n(CCN3CCOCC3)c12.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
The InChIKey is AUXAJASBQDHYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c1-31-22-4-2-3-20-23-21(29(24(20)22)12-11-27-13-15-32-16-14-27)9-10-28(25(23)30)17-18-5-7-19(26)8-6-18/h2-10H,11-17H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one?
2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one has a molecular weight of 435.50 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-6-methoxy-5-(2-morpholin-4-ylethyl)pyrido[4,3-b]indol-1-one is sourced from PubChem (CID 20604540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).