[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone

C18H15ClN4O2 — CID 118077777

IUPAC[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCOCC1
InChIInChI=1S/C18H15ClN4O2/c19-13-3-1-12(2-4-13)14-9-20-10-15-17(14)22-16(11-21-15)18(24)23-5-7-25-8-6-23/h1-4,9-11H,5-8H2
InChIKeyGTVBHEZAJROBGF-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.82
Rot. Bonds2

About [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone

[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118077777) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID118077777
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCOCC1
InChIInChI=1S/C18H15ClN4O2/c19-13-3-1-12(2-4-13)14-9-20-10-15-17(14)22-16(11-21-15)18(24)23-5-7-25-8-6-23/h1-4,9-11H,5-8H2
InChIKeyGTVBHEZAJROBGF-UHFFFAOYSA-N
XLogP2.82
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 118077777) is [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone is O=C(c1cnc2cncc(-c3ccc(Cl)cc3)c2n1)N1CCOCC1.
What is the InChIKey of [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is GTVBHEZAJROBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c19-13-3-1-12(2-4-13)14-9-20-10-15-17(14)22-16(11-21-15)18(24)23-5-7-25-8-6-23/h1-4,9-11H,5-8H2.
What are the key properties of [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone?
[8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 354.80 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-chlorophenyl)pyrido[3,4-b]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118077777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).