N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C21H18N4O2S — CID 1312158

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1
InChIInChI=1S/C21H18N4O2S/c1-3-19-24-25-21(28-19)23-20(26)16-12-18(13-7-6-8-14(11-13)27-2)22-17-10-5-4-9-15(16)17/h4-12H,3H2,1-2H3,(H,23,25,26)
InChIKeyQEPPSLFNWLOREA-UHFFFAOYSA-N
MW390.47 g/mol
LogP4.58
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 1312158) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID1312158
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1
InChIInChI=1S/C21H18N4O2S/c1-3-19-24-25-21(28-19)23-20(26)16-12-18(13-7-6-8-14(11-13)27-2)22-17-10-5-4-9-15(16)17/h4-12H,3H2,1-2H3,(H,23,25,26)
InChIKeyQEPPSLFNWLOREA-UHFFFAOYSA-N
XLogP4.58
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Ethyl-3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 1767363
1-Ethyl-3-[[2-(3-propoxyphenyl)quinoline-4-carbonyl]amino]thiourea
CID 1767542
2-(3-Ethoxyphenyl)-4-quinolinecarboxylic acid 2-((ethylamino)thioxomethyl)hydrazide
CID 1767681
1-[[2-(3-Butoxyphenyl)quinoline-4-carbonyl]amino]-3-ethylthiourea
CID 1768116
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(5-methyl-2-furyl)-4-quinolinecarboxamide
CID 5064757
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 5111944
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 2120387
N-(1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)-4-quinolinecarboxamide
CID 1221629
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
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 1312158) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is CCc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QEPPSLFNWLOREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c1-3-19-24-25-21(28-19)23-20(26)16-12-18(13-7-6-8-14(11-13)27-2)22-17-10-5-4-9-15(16)17/h4-12H,3H2,1-2H3,(H,23,25,26).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1312158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).