N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide

C22H17ClN4O3 — CID 24980356

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C22H17ClN4O3/c23-17-7-3-1-6-15(17)21-26-25-20(30-21)12-27(13-9-10-13)22(29)16-11-19(28)24-18-8-4-2-5-14(16)18/h1-8,11,13H,9-10,12H2,(H,24,28)
InChIKeyTWUVXPUZRANONR-UHFFFAOYSA-N
MW420.86 g/mol
LogP4.04
Rot. Bonds5

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 24980356) has the molecular formula C22H17ClN4O3 and a molecular weight of 420.86 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID24980356
Molecular FormulaC22H17ClN4O3
Molecular Weight420.86 g/mol
Exact Mass420.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C22H17ClN4O3/c23-17-7-3-1-6-15(17)21-26-25-20(30-21)12-27(13-9-10-13)22(29)16-11-19(28)24-18-8-4-2-5-14(16)18/h1-8,11,13H,9-10,12H2,(H,24,28)
InChIKeyTWUVXPUZRANONR-UHFFFAOYSA-N
XLogP4.04
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.86
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide (CID 24980356) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide is O=C(c1cc(=O)[nH]c2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is TWUVXPUZRANONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3/c23-17-7-3-1-6-15(17)21-26-25-20(30-21)12-27(13-9-10-13)22(29)16-11-19(28)24-18-8-4-2-5-14(16)18/h1-8,11,13H,9-10,12H2,(H,24,28).
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 420.86 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 24980356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).