N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C20H18N4O2S — CID 48599164

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCC(=O)N4)s2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-11-3-6-15(12(2)9-11)19-23-24-20(27-19)22-18(26)14-4-7-16-13(10-14)5-8-17(25)21-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyDBJVPJUVQGDNBN-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.96
Rot. Bonds3

About N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 48599164) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID48599164
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCC(=O)N4)s2)c(C)c1
InChIInChI=1S/C20H18N4O2S/c1-11-3-6-15(12(2)9-11)19-23-24-20(27-19)22-18(26)14-4-7-16-13(10-14)5-8-17(25)21-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,21,25)(H,22,24,26)
InChIKeyDBJVPJUVQGDNBN-UHFFFAOYSA-N
XLogP3.96
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)acetamide
CID 167881872
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108797970
4-methyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3621803
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 48585499
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
N-(2-ethyl-6-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110858019
N-(1-methylpyrazol-3-yl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 18132198
4-fluoro-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 3656618
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 167964916
methyl 5-methyl-3-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-1H-pyrrole-2-carboxylate
CID 167934437
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 48599164) is N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3ccc4c(c3)CCC(=O)N4)s2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DBJVPJUVQGDNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-11-3-6-15(12(2)9-11)19-23-24-20(27-19)22-18(26)14-4-7-16-13(10-14)5-8-17(25)21-16/h3-4,6-7,9-10H,5,8H2,1-2H3,(H,21,25)(H,22,24,26).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 48599164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).