4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

C22H31N3O2 — CID 55674009

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C22H31N3O2/c1-15(2)16-11-12-18-17(14-16)8-7-13-25(18)20(26)10-6-9-19-23-21(24-27-19)22(3,4)5/h11-12,14-15H,6-10,13H2,1-5H3
InChIKeyBMPORPVDKNHBND-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.79
Rot. Bonds5

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (PubChem CID 55674009) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
PubChem CID55674009
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C22H31N3O2/c1-15(2)16-11-12-18-17(14-16)8-7-13-25(18)20(26)10-6-9-19-23-21(24-27-19)22(3,4)5/h11-12,14-15H,6-10,13H2,1-5H3
InChIKeyBMPORPVDKNHBND-UHFFFAOYSA-N
XLogP4.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 55674117
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 34803748
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
CID 55763771
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
1-[2-(aminomethyl)pyrrolidin-1-yl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butan-1-one;hydrochloride
CID 119634070
3-morpholin-4-yl-1-(5-propan-2-yl-2,3-dihydroindol-1-yl)propan-1-one
CID 90144710

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one (CID 55674009) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is CC(C)c1ccc2c(c1)CCCN2C(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
The InChIKey is BMPORPVDKNHBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-15(2)16-11-12-18-17(14-16)8-7-13-25(18)20(26)10-6-9-19-23-21(24-27-19)22(3,4)5/h11-12,14-15H,6-10,13H2,1-5H3.
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one has a molecular weight of 369.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one is sourced from PubChem (CID 55674009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).