7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide

C18H20N4O2S — CID 51277603

IUPAC7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nnc(CC(C)C)s3)c(C)nc2c1
InChIInChI=1S/C18H20N4O2S/c1-10(2)7-16-21-22-18(25-16)20-17(23)14-8-12-5-6-13(24-4)9-15(12)19-11(14)3/h5-6,8-10H,7H2,1-4H3,(H,20,22,23)
InChIKeyBLROIJMVTHTSRZ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.85
Rot. Bonds5

About 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide

7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide (PubChem CID 51277603) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide
PubChem CID51277603
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)Nc3nnc(CC(C)C)s3)c(C)nc2c1
InChIInChI=1S/C18H20N4O2S/c1-10(2)7-16-21-22-18(25-16)20-17(23)14-8-12-5-6-13(24-4)9-15(12)19-11(14)3/h5-6,8-10H,7H2,1-4H3,(H,20,22,23)
InChIKeyBLROIJMVTHTSRZ-UHFFFAOYSA-N
XLogP3.85
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide?
The IUPAC name of 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide (CID 51277603) is 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide is COc1ccc2cc(C(=O)Nc3nnc(CC(C)C)s3)c(C)nc2c1.
What is the InChIKey of 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide?
The InChIKey is BLROIJMVTHTSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-10(2)7-16-21-22-18(25-16)20-17(23)14-8-12-5-6-13(24-4)9-15(12)19-11(14)3/h5-6,8-10H,7H2,1-4H3,(H,20,22,23).
What are the key properties of 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide?
7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 51277603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).