1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone

C14H15ClN4O2 — CID 167914587

IUPAC1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(c2cc(Cl)c3cccnc3n2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-11-8-12(17-14-10(11)2-1-3-16-14)18-4-6-19(7-5-18)13(21)9-20/h1-3,8,20H,4-7,9H2
InChIKeyGMVASAMIFUOKMF-UHFFFAOYSA-N
MW306.75 g/mol
LogP0.92
Rot. Bonds2

About 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone

1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone (PubChem CID 167914587) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
PubChem CID167914587
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CCN(c2cc(Cl)c3cccnc3n2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-11-8-12(17-14-10(11)2-1-3-16-14)18-4-6-19(7-5-18)13(21)9-20/h1-3,8,20H,4-7,9H2
InChIKeyGMVASAMIFUOKMF-UHFFFAOYSA-N
XLogP0.92
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone (CID 167914587) is 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone is O=C(CO)N1CCN(c2cc(Cl)c3cccnc3n2)CC1.
What is the InChIKey of 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone?
The InChIKey is GMVASAMIFUOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-11-8-12(17-14-10(11)2-1-3-16-14)18-4-6-19(7-5-18)13(21)9-20/h1-3,8,20H,4-7,9H2.
What are the key properties of 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone?
1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone has a molecular weight of 306.75 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-1,8-naphthyridin-2-yl)piperazin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 167914587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).