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

C22H23N5O2 — CID 146309242

IUPAC2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccn(CCN3CCN(c4noc5ccccc45)CC3)c(=O)c2cn1
InChIInChI=1S/C22H23N5O2/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/h2-7,14-15H,8-13H2,1H3
InChIKeyLAABBTWOLXSICT-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.67
Rot. Bonds4

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

2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one (PubChem CID 146309242) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one
PubChem CID146309242
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one
SMILESCc1cc2ccn(CCN3CCN(c4noc5ccccc45)CC3)c(=O)c2cn1
InChIInChI=1S/C22H23N5O2/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/h2-7,14-15H,8-13H2,1H3
InChIKeyLAABBTWOLXSICT-UHFFFAOYSA-N
XLogP2.67
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.67
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-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one (CID 146309242) is 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-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-2,7-naphthyridin-1-one?
The canonical SMILES for 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one is Cc1cc2ccn(CCN3CCN(c4noc5ccccc45)CC3)c(=O)c2cn1.
What is the InChIKey of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one?
The InChIKey is LAABBTWOLXSICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/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/h2-7,14-15H,8-13H2,1H3.
What are the key properties of 2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one?
2-[2-[4-(1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6-methyl-2,7-naphthyridin-1-one has a molecular weight of 389.46 g/mol, XLogP of 2.67, 4 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-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 146309242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).