ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one

C24H34N4O2 — CID 142520953

IUPACethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one
SMILESC=C(C)N1CCC(c2nc(-c3ccc4c(c3)N(C(C)C)C(=O)CC4)no2)CC1.CC
InChIInChI=1S/C22H28N4O2.C2H6/c1-14(2)25-11-9-17(10-12-25)22-23-21(24-28-22)18-6-5-16-7-8-20(27)26(15(3)4)19(16)13-18;1-2/h5-6,13,15,17H,1,7-12H2,2-4H3;1-2H3
InChIKeyFHEHSHCHLLRWDB-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.16
Rot. Bonds4

About ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one

ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one (PubChem CID 142520953) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Nameethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one
PubChem CID142520953
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Nameethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one
SMILESC=C(C)N1CCC(c2nc(-c3ccc4c(c3)N(C(C)C)C(=O)CC4)no2)CC1.CC
InChIInChI=1S/C22H28N4O2.C2H6/c1-14(2)25-11-9-17(10-12-25)22-23-21(24-28-22)18-6-5-16-7-8-20(27)26(15(3)4)19(16)13-18;1-2/h5-6,13,15,17H,1,7-12H2,2-4H3;1-2H3
InChIKeyFHEHSHCHLLRWDB-UHFFFAOYSA-N
XLogP5.16
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one?
The IUPAC name of ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one (CID 142520953) is ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one is C=C(C)N1CCC(c2nc(-c3ccc4c(c3)N(C(C)C)C(=O)CC4)no2)CC1.CC.
What is the InChIKey of ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one?
The InChIKey is FHEHSHCHLLRWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.C2H6/c1-14(2)25-11-9-17(10-12-25)22-23-21(24-28-22)18-6-5-16-7-8-20(27)26(15(3)4)19(16)13-18;1-2/h5-6,13,15,17H,1,7-12H2,2-4H3;1-2H3.
What are the key properties of ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one?
ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one has a molecular weight of 410.56 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 142520953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).