1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one

C14H16N4OS — CID 133459382

IUPAC1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3nc(C)ns3)ccc21
InChIInChI=1S/C14H16N4OS/c1-3-18-12-6-5-11(8-10(12)4-7-13(18)19)16-14-15-9(2)17-20-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyBHWFBUFENHDNCI-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.89
Rot. Bonds3

About 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one

1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one (PubChem CID 133459382) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
PubChem CID133459382
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCCN1C(=O)CCc2cc(Nc3nc(C)ns3)ccc21
InChIInChI=1S/C14H16N4OS/c1-3-18-12-6-5-11(8-10(12)4-7-13(18)19)16-14-15-9(2)17-20-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyBHWFBUFENHDNCI-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one (CID 133459382) is 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one is CCN1C(=O)CCc2cc(Nc3nc(C)ns3)ccc21.
What is the InChIKey of 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The InChIKey is BHWFBUFENHDNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-3-18-12-6-5-11(8-10(12)4-7-13(18)19)16-14-15-9(2)17-20-14/h5-6,8H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one has a molecular weight of 288.38 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 133459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).