8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one

C17H19FN4O2 — CID 666142

IUPAC8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
SMILESCn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21
InChIInChI=1S/C17H19FN4O2/c1-20-14-3-2-12(18)10-13(14)15-16(20)17(23)22(11-19-15)5-4-21-6-8-24-9-7-21/h2-3,10-11H,4-9H2,1H3
InChIKeyCSTIRLFYRZEKCJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.36
Rot. Bonds3

About 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one

8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one (PubChem CID 666142) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one.

Molecular Properties

Compound Name8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
PubChem CID666142
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one
SMILESCn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21
InChIInChI=1S/C17H19FN4O2/c1-20-14-3-2-12(18)10-13(14)15-16(20)17(23)22(11-19-15)5-4-21-6-8-24-9-7-21/h2-3,10-11H,4-9H2,1H3
InChIKeyCSTIRLFYRZEKCJ-UHFFFAOYSA-N
XLogP1.36
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The IUPAC name of 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one (CID 666142) is 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one.
What is the SMILES notation for 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The canonical SMILES for 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one is Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21.
What is the InChIKey of 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
The InChIKey is CSTIRLFYRZEKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-20-14-3-2-12(18)10-13(14)15-16(20)17(23)22(11-19-15)5-4-21-6-8-24-9-7-21/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one?
8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one has a molecular weight of 330.36 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-methyl-3-(2-morpholin-4-ylethyl)pyrimido[5,4-b]indol-4-one is sourced from PubChem (CID 666142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).