1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide

C18H20N4O3S — CID 54690333

IUPAC1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)c(O)c2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-4-22-12-8-6-5-7-11(12)15(23)14(17(22)25)16(24)19-18-21-20-13(26-18)9-10(2)3/h5-8,10,23H,4,9H2,1-3H3,(H,19,21,24)
InChIKeyQDLNHYJUNKFBDS-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.03
Rot. Bonds5

About 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide

1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide (PubChem CID 54690333) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
PubChem CID54690333
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)c(O)c2ccccc21
InChIInChI=1S/C18H20N4O3S/c1-4-22-12-8-6-5-7-11(12)15(23)14(17(22)25)16(24)19-18-21-20-13(26-18)9-10(2)3/h5-8,10,23H,4,9H2,1-3H3,(H,19,21,24)
InChIKeyQDLNHYJUNKFBDS-UHFFFAOYSA-N
XLogP3.03
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54679776
1-ethyl-4-hydroxy-2-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 54687824
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 162670092
1-ethyl-4-hydroxy-2-oxo-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide
CID 162650003
1-ethyl-4-hydroxy-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162654682
1-ethyl-4-hydroxy-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162645930
1-ethyl-4-hydroxy-N-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide
CID 162673526
1-butyl-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]indole-2-carboxamide
CID 110503514
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
5-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxothieno[3,2-c]quinoline-2-carboxamide
CID 20865415
4-hydroxy-1-(2-methylpropyl)-2-oxo-N-pyrimidin-2-ylquinoline-3-carboxamide
CID 54676093
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide (CID 54690333) is 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide?
The InChIKey is QDLNHYJUNKFBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-4-22-12-8-6-5-7-11(12)15(23)14(17(22)25)16(24)19-18-21-20-13(26-18)9-10(2)3/h5-8,10,23H,4,9H2,1-3H3,(H,19,21,24).
What are the key properties of 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide?
1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54690333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).