(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

C19H23N3O4 — CID 71896511

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(C)(C)c1noc(CCCC(=O)Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)18-21-16(26-22-18)5-4-6-17(24)25-13-8-9-14-12(11-13)7-10-15(23)20-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyKPPXHKDBUIHMAF-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.18
Rot. Bonds5

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (PubChem CID 71896511) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
PubChem CID71896511
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
SMILESCC(C)(C)c1noc(CCCC(=O)Oc2ccc3c(c2)CCC(=O)N3)n1
InChIInChI=1S/C19H23N3O4/c1-19(2,3)18-21-16(26-22-18)5-4-6-17(24)25-13-8-9-14-12(11-13)7-10-15(23)20-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,23)
InChIKeyKPPXHKDBUIHMAF-UHFFFAOYSA-N
XLogP3.18
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
3,3-dimethylbutyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 78858511
methyl 4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 13109798
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 78892160
6-[[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3,4-dihydro-1H-quinolin-2-one
CID 34308913
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 18205232
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)butanamide
CID 38416580
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999755
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 55999216
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
CID 116799026

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate (CID 71896511) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is CC(C)(C)c1noc(CCCC(=O)Oc2ccc3c(c2)CCC(=O)N3)n1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
The InChIKey is KPPXHKDBUIHMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-19(2,3)18-21-16(26-22-18)5-4-6-17(24)25-13-8-9-14-12(11-13)7-10-15(23)20-14/h8-9,11H,4-7,10H2,1-3H3,(H,20,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate has a molecular weight of 357.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate is sourced from PubChem (CID 71896511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).