2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one

C22H25N5O3 — CID 146343633

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCOc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O3/c1-29-20-14-16-6-7-27(22(28)18(16)15-23-20)13-10-25-8-11-26(12-9-25)21-17-4-2-3-5-19(17)30-24-21/h2-5,14-15H,6-13H2,1H3
InChIKeyFUVSPPJJICMEMP-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one

2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 146343633) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID146343633
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCOc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O3/c1-29-20-14-16-6-7-27(22(28)18(16)15-23-20)13-10-25-8-11-26(12-9-25)21-17-4-2-3-5-19(17)30-24-21/h2-5,14-15H,6-13H2,1H3
InChIKeyFUVSPPJJICMEMP-UHFFFAOYSA-N
XLogP2.05
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one (CID 146343633) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one is COc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is FUVSPPJJICMEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-20-14-16-6-7-27(22(28)18(16)15-23-20)13-10-25-8-11-26(12-9-25)21-17-4-2-3-5-19(17)30-24-21/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 407.47 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methoxy-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 146343633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).