1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one

C22H26N4O2 — CID 127039739

IUPAC1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-28-19-15-21-20(23-16-19)7-8-22(27)26(21)14-13-24-9-11-25(12-10-24)17-18-5-3-2-4-6-18/h2-8,15-16H,9-14,17H2,1H3
InChIKeyMUDGQNZCMSDDIP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.22
Rot. Bonds6

About 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one

1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 127039739) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID127039739
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C22H26N4O2/c1-28-19-15-21-20(23-16-19)7-8-22(27)26(21)14-13-24-9-11-25(12-10-24)17-18-5-3-2-4-6-18/h2-8,15-16H,9-14,17H2,1H3
InChIKeyMUDGQNZCMSDDIP-UHFFFAOYSA-N
XLogP2.22
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 127039739) is 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is MUDGQNZCMSDDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-28-19-15-21-20(23-16-19)7-8-22(27)26(21)14-13-24-9-11-25(12-10-24)17-18-5-3-2-4-6-18/h2-8,15-16H,9-14,17H2,1H3.
What are the key properties of 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylpiperazin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one is sourced from PubChem (CID 127039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).