3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride

C15H17ClN4O3 — CID 137096058

IUPAC3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
SMILESCl.NC1(c2noc(-c3cc4c([nH]c3=O)CCCC4=O)n2)CCC1
InChIInChI=1S/C15H16N4O3.ClH/c16-15(5-2-6-15)14-18-13(22-19-14)9-7-8-10(17-12(9)21)3-1-4-11(8)20;/h7H,1-6,16H2,(H,17,21);1H
InChIKeyNFMHSFFHXXIGCY-UHFFFAOYSA-N
MW336.78 g/mol
LogP1.70
Rot. Bonds2

About 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride (PubChem CID 137096058) has the molecular formula C15H17ClN4O3 and a molecular weight of 336.78 g/mol. Its IUPAC name is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
PubChem CID137096058
Molecular FormulaC15H17ClN4O3
Molecular Weight336.78 g/mol
Exact Mass336.10
IUPAC Name3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
SMILESCl.NC1(c2noc(-c3cc4c([nH]c3=O)CCCC4=O)n2)CCC1
InChIInChI=1S/C15H16N4O3.ClH/c16-15(5-2-6-15)14-18-13(22-19-14)9-7-8-10(17-12(9)21)3-1-4-11(8)20;/h7H,1-6,16H2,(H,17,21);1H
InChIKeyNFMHSFFHXXIGCY-UHFFFAOYSA-N
XLogP1.70
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 137096135
1-[5-(4-iodo-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096064
1-[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120858813
1-[5-(5-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860423
1-[5-(2,4-dichloro-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862076
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
1-[5-(2,5-dichlorothiophen-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 107965364
1-[5-(2-chloro-5-iodophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860016
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860206
1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860494
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120864382
1-[5-(2-fluoro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860029

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride (CID 137096058) is 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride is Cl.NC1(c2noc(-c3cc4c([nH]c3=O)CCCC4=O)n2)CCC1.
What is the InChIKey of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride?
The InChIKey is NFMHSFFHXXIGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3.ClH/c16-15(5-2-6-15)14-18-13(22-19-14)9-7-8-10(17-12(9)21)3-1-4-11(8)20;/h7H,1-6,16H2,(H,17,21);1H.
What are the key properties of 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride?
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride has a molecular weight of 336.78 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride is sourced from PubChem (CID 137096058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).