4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide

C14H11ClN4O2 — CID 106396198

IUPAC4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCc1ncon1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O2/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(20)16-6-5-13-17-8-21-19-13/h1-4,7-8H,5-6H2,(H,16,20)
InChIKeyUSHQVJTUYJOYAP-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.24
Rot. Bonds4

About 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide

4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide (PubChem CID 106396198) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
PubChem CID106396198
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide
SMILESO=C(NCCc1ncon1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C14H11ClN4O2/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(20)16-6-5-13-17-8-21-19-13/h1-4,7-8H,5-6H2,(H,16,20)
InChIKeyUSHQVJTUYJOYAP-UHFFFAOYSA-N
XLogP2.24
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
4-chloro-N-(2-sulfamoylethyl)quinoline-2-carboxamide
CID 63375727
N-(2-bromoprop-2-enyl)-4-chloroquinoline-2-carboxamide
CID 113465028
N-but-2-ynyl-4-chloroquinoline-2-carboxamide
CID 113464582
3-[(4-chloroquinoline-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166666
4-chloro-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 139188850
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
1-[[(4-chloroquinoline-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449917
4-chloro-2-hydroxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 113346470
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
4-chloro-N-[2-(dimethylamino)propyl]quinoline-2-carboxamide
CID 63376386
5-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106409133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide (CID 106396198) is 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide is O=C(NCCc1ncon1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide?
The InChIKey is USHQVJTUYJOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-7-12(18-11-4-2-1-3-9(10)11)14(20)16-6-5-13-17-8-21-19-13/h1-4,7-8H,5-6H2,(H,16,20).
What are the key properties of 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide?
4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 106396198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).