4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one

C20H21ClN4O2 — CID 175950950

IUPAC4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(N2CCN(Cc3ccc(Cl)c(O)c3)CC2)c2ncccc21
InChIInChI=1S/C20H21ClN4O2/c1-23-16-3-2-6-22-20(16)17(12-19(23)27)25-9-7-24(8-10-25)13-14-4-5-15(21)18(26)11-14/h2-6,11-12,26H,7-10,13H2,1H3
InChIKeyBIIKZOPMDDFYNY-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.61
Rot. Bonds3

About 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one

4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one (PubChem CID 175950950) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
PubChem CID175950950
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one
SMILESCn1c(=O)cc(N2CCN(Cc3ccc(Cl)c(O)c3)CC2)c2ncccc21
InChIInChI=1S/C20H21ClN4O2/c1-23-16-3-2-6-22-20(16)17(12-19(23)27)25-9-7-24(8-10-25)13-14-4-5-15(21)18(26)11-14/h2-6,11-12,26H,7-10,13H2,1H3
InChIKeyBIIKZOPMDDFYNY-UHFFFAOYSA-N
XLogP2.61
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one (CID 175950950) is 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one is Cn1c(=O)cc(N2CCN(Cc3ccc(Cl)c(O)c3)CC2)c2ncccc21.
What is the InChIKey of 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
The InChIKey is BIIKZOPMDDFYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-23-16-3-2-6-22-20(16)17(12-19(23)27)25-9-7-24(8-10-25)13-14-4-5-15(21)18(26)11-14/h2-6,11-12,26H,7-10,13H2,1H3.
What are the key properties of 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one?
4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one has a molecular weight of 384.87 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chloro-3-hydroxyphenyl)methyl]piperazin-1-yl]-1-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 175950950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).