8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one

C18H19ClN4O2 — CID 72894620

IUPAC8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
SMILESCCN(Cc1noc(C2CC2)n1)Cc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C18H19ClN4O2/c1-2-23(10-16-21-18(25-22-16)11-6-7-11)9-12-8-15(24)13-4-3-5-14(19)17(13)20-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,20,24)
InChIKeyOTCWZHJRJIGGLN-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.46
Rot. Bonds6

About 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one

8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one (PubChem CID 72894620) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
PubChem CID72894620
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one
SMILESCCN(Cc1noc(C2CC2)n1)Cc1cc(=O)c2cccc(Cl)c2[nH]1
InChIInChI=1S/C18H19ClN4O2/c1-2-23(10-16-21-18(25-22-16)11-6-7-11)9-12-8-15(24)13-4-3-5-14(19)17(13)20-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,20,24)
InChIKeyOTCWZHJRJIGGLN-UHFFFAOYSA-N
XLogP3.46
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-[[3-(furan-2-yl)phenyl]methyl]ethanamine
CID 77086142
8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109749
3-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1-methylquinolin-2-one
CID 91841894
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-6,7-dimethylchromen-2-one
CID 50954633
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-naphthalen-1-ylpropanamide
CID 91834513
7-chloro-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]indole-2,3-dione
CID 61495325
3-(2-chloro-6-methylphenyl)-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methylurea
CID 72912400
3-chloro-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-methylbenzenesulfonamide
CID 131909514
ethyl (1S,2S,4R)-7-[(8-chloro-4-oxo-1H-quinolin-2-yl)methyl]-2-ethyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 164689358
(4R)-4-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpyrrolidin-2-one
CID 129471642
4-chloro-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 119063058
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]-N-cyclopropylacetamide
CID 91838899

Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one?
The IUPAC name of 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one (CID 72894620) is 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one is CCN(Cc1noc(C2CC2)n1)Cc1cc(=O)c2cccc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one?
The InChIKey is OTCWZHJRJIGGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-2-23(10-16-21-18(25-22-16)11-6-7-11)9-12-8-15(24)13-4-3-5-14(19)17(13)20-12/h3-5,8,11H,2,6-7,9-10H2,1H3,(H,20,24).
What are the key properties of 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one?
8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one has a molecular weight of 358.83 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-[[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72894620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).