3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one

C14H16N4O2 — CID 126825339

IUPAC3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)c1noc(NC2Cc3ccccc3NC2=O)n1
InChIInChI=1S/C14H16N4O2/c1-8(2)12-17-14(20-18-12)16-11-7-9-5-3-4-6-10(9)15-13(11)19/h3-6,8,11H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCTUOJNRQFCYEMQ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.17
Rot. Bonds3

About 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one

3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 126825339) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID126825339
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)c1noc(NC2Cc3ccccc3NC2=O)n1
InChIInChI=1S/C14H16N4O2/c1-8(2)12-17-14(20-18-12)16-11-7-9-5-3-4-6-10(9)15-13(11)19/h3-6,8,11H,7H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyCTUOJNRQFCYEMQ-UHFFFAOYSA-N
XLogP2.17
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 126825339) is 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one is CC(C)c1noc(NC2Cc3ccccc3NC2=O)n1.
What is the InChIKey of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CTUOJNRQFCYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-8(2)12-17-14(20-18-12)16-11-7-9-5-3-4-6-10(9)15-13(11)19/h3-6,8,11H,7H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one?
3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 126825339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).