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

C22H25N5O2 — CID 146343463

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15H,6-13H2,1H3
InChIKeyAGDJOXPUTNYCLH-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.35
Rot. Bonds4

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

2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one (PubChem CID 146343463) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one
PubChem CID146343463
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one
SMILESCc1cc2c(cn1)C(=O)N(CCN1CCN(c3noc4ccccc34)CC1)CC2
InChIInChI=1S/C22H25N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/h2-5,14-15H,6-13H2,1H3
InChIKeyAGDJOXPUTNYCLH-UHFFFAOYSA-N
XLogP2.35
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-methyl-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-methyl-3,4-dihydro-2,7-naphthyridin-1-one (CID 146343463) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-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-methyl-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-methyl-3,4-dihydro-2,7-naphthyridin-1-one is Cc1cc2c(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-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
The InChIKey is AGDJOXPUTNYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-14-17-6-7-27(22(28)19(17)15-23-16)13-10-25-8-11-26(12-9-25)21-18-4-2-3-5-20(18)29-24-21/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-methyl-3,4-dihydro-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-3,4-dihydro-2,7-naphthyridin-1-one has a molecular weight of 391.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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-methyl-3,4-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 146343463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).