[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate

C24H20N4O4S — CID 55601388

IUPAC[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate
SMILESCOc1ccc(NC(=O)c2nnc(COC(=O)c3cc(C4CC4)nc4ccccc34)s2)cc1
InChIInChI=1S/C24H20N4O4S/c1-31-16-10-8-15(9-11-16)25-22(29)23-28-27-21(33-23)13-32-24(30)18-12-20(14-6-7-14)26-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,25,29)
InChIKeyINPUCCVRQTVYOT-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.58
Rot. Bonds7

About [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate

[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate (PubChem CID 55601388) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate
PubChem CID55601388
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate
SMILESCOc1ccc(NC(=O)c2nnc(COC(=O)c3cc(C4CC4)nc4ccccc34)s2)cc1
InChIInChI=1S/C24H20N4O4S/c1-31-16-10-8-15(9-11-16)25-22(29)23-28-27-21(33-23)13-32-24(30)18-12-20(14-6-7-14)26-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,25,29)
InChIKeyINPUCCVRQTVYOT-UHFFFAOYSA-N
XLogP4.58
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate with MolForge

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-bromo-2-hydroxy-5-methylbenzoate
CID 55995258
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 3-methylbenzoate
CID 55561360
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 4-(methoxymethyl)benzoate
CID 36581277
N-(4-methoxyphenyl)-5-[(4-methylquinolin-2-yl)sulfanylmethyl]-1,3,4-thiadiazole-2-carboxamide
CID 36572520
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (E)-3-quinolin-2-ylprop-2-enoate
CID 36578330
N-(4-methoxyphenyl)-5-[[2-[(2-methylphenyl)methylamino]-2-oxoethoxy]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 46319775
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565614
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
5-[[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethoxy]methyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46319747
2-cyclopropyl-N-[(3-methoxyphenyl)methyl]quinoline-4-carboxamide
CID 9377696

Frequently Asked Questions

What is the IUPAC name of [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate (CID 55601388) is [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate is COc1ccc(NC(=O)c2nnc(COC(=O)c3cc(C4CC4)nc4ccccc34)s2)cc1.
What is the InChIKey of [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate?
The InChIKey is INPUCCVRQTVYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c1-31-16-10-8-15(9-11-16)25-22(29)23-28-27-21(33-23)13-32-24(30)18-12-20(14-6-7-14)26-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,25,29).
What are the key properties of [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate?
[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate has a molecular weight of 460.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 55601388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).