6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide

C15H15ClN4O2 — CID 144935472

IUPAC6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide
SMILESCc1noc(C(C)NC(=O)C2C=Cc3cc(Cl)ccc3N2)n1
InChIInChI=1S/C15H15ClN4O2/c1-8(15-18-9(2)20-22-15)17-14(21)13-5-3-10-7-11(16)4-6-12(10)19-13/h3-8,13,19H,1-2H3,(H,17,21)
InChIKeyANHIGSDGDLMPGZ-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide

6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide (PubChem CID 144935472) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide
PubChem CID144935472
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC Name6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide
SMILESCc1noc(C(C)NC(=O)C2C=Cc3cc(Cl)ccc3N2)n1
InChIInChI=1S/C15H15ClN4O2/c1-8(15-18-9(2)20-22-15)17-14(21)13-5-3-10-7-11(16)4-6-12(10)19-13/h3-8,13,19H,1-2H3,(H,17,21)
InChIKeyANHIGSDGDLMPGZ-UHFFFAOYSA-N
XLogP2.72
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide (CID 144935472) is 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide is Cc1noc(C(C)NC(=O)C2C=Cc3cc(Cl)ccc3N2)n1.
What is the InChIKey of 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide?
The InChIKey is ANHIGSDGDLMPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c1-8(15-18-9(2)20-22-15)17-14(21)13-5-3-10-7-11(16)4-6-12(10)19-13/h3-8,13,19H,1-2H3,(H,17,21).
What are the key properties of 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide?
6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-dihydroquinoline-2-carboxamide is sourced from PubChem (CID 144935472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).