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

C15H18N4OS — CID 133459392

IUPAC1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCCc1nsc(Nc2ccc3c(c2)CCC(=O)N3CC)n1
InChIInChI=1S/C15H18N4OS/c1-3-13-17-15(21-18-13)16-11-6-7-12-10(9-11)5-8-14(20)19(12)4-2/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyOJRUYIKSCVJBPR-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.14
Rot. Bonds4

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

1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one (PubChem CID 133459392) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
PubChem CID133459392
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
SMILESCCc1nsc(Nc2ccc3c(c2)CCC(=O)N3CC)n1
InChIInChI=1S/C15H18N4OS/c1-3-13-17-15(21-18-13)16-11-6-7-12-10(9-11)5-8-14(20)19(12)4-2/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18)
InChIKeyOJRUYIKSCVJBPR-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-6-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459382
3-ethyl-N-(1-methyl-2,3-dihydroindol-6-yl)-1,2,4-thiadiazol-5-amine
CID 133435563
6-[(2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459397
1-ethyl-6-(4-nitroanilino)-3,4-dihydroquinolin-2-one
CID 133459327
1-ethyl-6-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-3,4-dihydroquinolin-2-one
CID 133459295
6-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459310
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-methylpropanamide
CID 20933542
6-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 133459303
2-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168608537
1-(3,4-dimethoxyphenyl)-3-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376300
6-[(9-cyclopropylpurin-6-yl)amino]-1-ethyl-3,4-dihydroquinolin-2-one
CID 136544673
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-5-methylthiophene-2-sulfonamide
CID 40889525

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one (CID 133459392) is 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one is CCc1nsc(Nc2ccc3c(c2)CCC(=O)N3CC)n1.
What is the InChIKey of 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
The InChIKey is OJRUYIKSCVJBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-3-13-17-15(21-18-13)16-11-6-7-12-10(9-11)5-8-14(20)19(12)4-2/h6-7,9H,3-5,8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one?
1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one has a molecular weight of 302.40 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 133459392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).