7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one

C22H25N5O3 — CID 146343489

IUPAC7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCOc1ccc2c(n1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O3/c1-29-19-7-6-16-8-9-27(22(28)20(16)23-19)15-12-25-10-13-26(14-11-25)21-17-4-2-3-5-18(17)30-24-21/h2-7H,8-15H2,1H3
InChIKeyUSVLILPJVBXRLR-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.05
Rot. Bonds5

About 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one

7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one (PubChem CID 146343489) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one
PubChem CID146343489
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one
SMILESCOc1ccc2c(n1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O3/c1-29-19-7-6-16-8-9-27(22(28)20(16)23-19)15-12-25-10-13-26(14-11-25)21-17-4-2-3-5-18(17)30-24-21/h2-7H,8-15H2,1H3
InChIKeyUSVLILPJVBXRLR-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 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one?
The IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one (CID 146343489) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one.
What is the SMILES notation for 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one?
The canonical SMILES for 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one is COc1ccc2c(n1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2.
What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one?
The InChIKey is USVLILPJVBXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-29-19-7-6-16-8-9-27(22(28)20(16)23-19)15-12-25-10-13-26(14-11-25)21-17-4-2-3-5-18(17)30-24-21/h2-7H,8-15H2,1H3.
What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one?
7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-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 7-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-2-methoxy-5,6-dihydro-1,7-naphthyridin-8-one is sourced from PubChem (CID 146343489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).