6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

C18H16ClN3O2 — CID 30132214

IUPAC6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-11-15(17(23)14-9-12(19)6-7-16(14)22)18(24)21-10-13-5-3-4-8-20-13/h3-9,11H,2,10H2,1H3,(H,21,24)
InChIKeyJANLFXHAMCOMPJ-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.00
Rot. Bonds4

About 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (PubChem CID 30132214) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
PubChem CID30132214
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClN3O2/c1-2-22-11-15(17(23)14-9-12(19)6-7-16(14)22)18(24)21-10-13-5-3-4-8-20-13/h3-9,11H,2,10H2,1H3,(H,21,24)
InChIKeyJANLFXHAMCOMPJ-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132224
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-6-methyl-4-oxo-N-(pyridin-4-ylmethyl)quinoline-3-carboxamide
CID 30132048
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
6-chloro-1-ethyl-4-oxo-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]quinoline-3-carboxamide
CID 30463999
2-chloro-11-oxo-N-(pyridin-2-ylmethyl)pyrido[2,1-b]quinazoline-6-carboxamide
CID 3590750
N-[(2-chlorophenyl)methyl]-6-(dimethylsulfamoyl)-1-ethyl-4-oxoquinoline-3-carboxamide
CID 6622234
6-chloro-1-ethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-3-carboxamide
CID 43888733
6-chloro-1-ethyl-N-(3-methyl-2-morpholin-4-ylbutyl)-4-oxoquinoline-3-carboxamide
CID 75472827

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The IUPAC name of 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide (CID 30132214) is 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The canonical SMILES for 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is CCn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
The InChIKey is JANLFXHAMCOMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-2-22-11-15(17(23)14-9-12(19)6-7-16(14)22)18(24)21-10-13-5-3-4-8-20-13/h3-9,11H,2,10H2,1H3,(H,21,24).
What are the key properties of 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide?
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide is sourced from PubChem (CID 30132214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).