[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate

C18H18N4O3S — CID 3149828

IUPAC[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCCCc1nnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C18H18N4O3S/c1-3-6-16-21-22-18(26-16)20-15(23)10-25-17(24)13-9-11(2)19-14-8-5-4-7-12(13)14/h4-5,7-9H,3,6,10H2,1-2H3,(H,20,22,23)
InChIKeyNZSMTQGLSQTOQN-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.14
Rot. Bonds6

About [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 3149828) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate
PubChem CID3149828
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate
SMILESCCCc1nnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)s1
InChIInChI=1S/C18H18N4O3S/c1-3-6-16-21-22-18(26-16)20-15(23)10-25-17(24)13-9-11(2)19-14-8-5-4-7-12(13)14/h4-5,7-9H,3,6,10H2,1-2H3,(H,20,22,23)
InChIKeyNZSMTQGLSQTOQN-UHFFFAOYSA-N
XLogP3.14
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate with MolForge

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Related Compounds

1-{[(5-Propyl-1,3,4-thiadiazol-2-yl)amino]carbonyl}propyl 2-methyl-4-quinolinecarboxylate
CID 2924605
2-[(5-Isopropyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl 2-methyl-4-quinolinecarboxylate
CID 1154401
1-[(5-Propyl-1,3,4-thiadiazol-2-yl)amino]propyl 2-methyl-4-quinolinecarboxylate
CID 2908832
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 1312158
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 2931384
2-oxo-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}ethyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 6484450
N-[5-[(3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-methoxyquinoline-4-carboxamide
CID 16676215
2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1219889
2-(3-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1350146
N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 2231033
2-Oxo-2-{[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino}ethyl 2-methylquinoline-4-carboxylate
CID 1512174
[(2S)-1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate
CID 2383000

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate (CID 3149828) is [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate is CCCc1nnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)s1.
What is the InChIKey of [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is NZSMTQGLSQTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-3-6-16-21-22-18(26-16)20-15(23)10-25-17(24)13-9-11(2)19-14-8-5-4-7-12(13)14/h4-5,7-9H,3,6,10H2,1-2H3,(H,20,22,23).
What are the key properties of [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 370.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 3149828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).