N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

C23H20N4O3S — CID 1293982

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)c1
InChIInChI=1S/C23H20N4O3S/c1-29-14-9-10-20(30-2)17(11-14)19-12-16(15-5-3-4-6-18(15)24-19)21(28)25-23-27-26-22(31-23)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,25,27,28)
InChIKeyCAYVKXHSORFNIP-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.90
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1293982) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1293982
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)c1
InChIInChI=1S/C23H20N4O3S/c1-29-14-9-10-20(30-2)17(11-14)19-12-16(15-5-3-4-6-18(15)24-19)21(28)25-23-27-26-22(31-23)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,25,27,28)
InChIKeyCAYVKXHSORFNIP-UHFFFAOYSA-N
XLogP4.90
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide (CID 1293982) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(C4CC4)s3)c3ccccc3n2)c1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CAYVKXHSORFNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-29-14-9-10-20(30-2)17(11-14)19-12-16(15-5-3-4-6-18(15)24-19)21(28)25-23-27-26-22(31-23)13-7-8-13/h3-6,9-13H,7-8H2,1-2H3,(H,25,27,28).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 432.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1293982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).