3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

C15H18N4O3 — CID 137096135

IUPAC3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCNC(C)Cc1noc(-c2cc3c([nH]c2=O)CCCC3=O)n1
InChIInChI=1S/C15H18N4O3/c1-8(16-2)6-13-18-15(22-19-13)10-7-9-11(17-14(10)21)4-3-5-12(9)20/h7-8,16H,3-6H2,1-2H3,(H,17,21)
InChIKeyOSJOYODWXFUIOD-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.09
Rot. Bonds4

About 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione

3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (PubChem CID 137096135) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.

Molecular Properties

Compound Name3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
PubChem CID137096135
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione
SMILESCNC(C)Cc1noc(-c2cc3c([nH]c2=O)CCCC3=O)n1
InChIInChI=1S/C15H18N4O3/c1-8(16-2)6-13-18-15(22-19-13)10-7-9-11(17-14(10)21)4-3-5-12(9)20/h7-8,16H,3-6H2,1-2H3,(H,17,21)
InChIKeyOSJOYODWXFUIOD-UHFFFAOYSA-N
XLogP1.09
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione with MolForge

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Related Compounds

3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione;hydrochloride
CID 137096058
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
6-fluoro-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 120868902
7-fluoro-4-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1H-quinolin-2-one
CID 120869346
N-methyl-1-[5-(4-methyl-1H-pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 137076810
1-[5-(2-cyclohexyloxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866510
N-methyl-1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866066
7-cyclopropyl-1-ethyl-5-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]pyrido[2,3-d]pyrimidine-2,4-dione;hydrochloride
CID 120865734
N-methyl-1-[5-(2-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 120867072
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866083
1-[5-(2-iodo-5-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867055
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The IUPAC name of 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione (CID 137096135) is 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione.
What is the SMILES notation for 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The canonical SMILES for 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is CNC(C)Cc1noc(-c2cc3c([nH]c2=O)CCCC3=O)n1.
What is the InChIKey of 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
The InChIKey is OSJOYODWXFUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-8(16-2)6-13-18-15(22-19-13)10-7-9-11(17-14(10)21)4-3-5-12(9)20/h7-8,16H,3-6H2,1-2H3,(H,17,21).
What are the key properties of 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione?
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione has a molecular weight of 302.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-1,6,7,8-tetrahydroquinoline-2,5-dione is sourced from PubChem (CID 137096135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).