(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one

C17H20N2O — CID 73426869

IUPAC(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one
SMILESCCC[C@H]1C(=O)N(c2cccc3cccnc23)[C@H]1CC
InChIInChI=1S/C17H20N2O/c1-3-7-13-14(4-2)19(17(13)20)15-10-5-8-12-9-6-11-18-16(12)15/h5-6,8-11,13-14H,3-4,7H2,1-2H3/t13-,14+/m1/s1
InChIKeyFHTOTTVNJJSZBK-KGLIPLIRSA-N
MW268.36 g/mol
LogP3.78
Rot. Bonds4

About (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one

(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one (PubChem CID 73426869) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one
PubChem CID73426869
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one
SMILESCCC[C@H]1C(=O)N(c2cccc3cccnc23)[C@H]1CC
InChIInChI=1S/C17H20N2O/c1-3-7-13-14(4-2)19(17(13)20)15-10-5-8-12-9-6-11-18-16(12)15/h5-6,8-11,13-14H,3-4,7H2,1-2H3/t13-,14+/m1/s1
InChIKeyFHTOTTVNJJSZBK-KGLIPLIRSA-N
XLogP3.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-bromophenyl)ethyl]-1-quinolin-8-ylazetidin-2-one
CID 146659598
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
8-(4-pentylpiperazin-1-yl)quinoline
CID 20649338
(1S,6R)-1-methyl-7-quinolin-8-yl-7-azabicyclo[4.2.0]octan-8-one
CID 73426764
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
1-(quinolin-8-ylmethyl)indole-2,3-dione
CID 3008305
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
3-quinolin-8-ylimidazolidine-2,4-dione
CID 106702916
4-(3-fluorophenyl)-1-quinolin-8-ylazetidin-2-one
CID 73426556
3-methyl-4-(2-phenylethyl)-1-quinolin-8-ylazetidin-2-one;2-methyl-N-quinolin-8-ylbut-3-enamide;toluene
CID 159298325
ethyl 4-oxo-1-quinolin-8-yl-1,8-naphthyridine-3-carboxylate
CID 70014598
1-(2-methylpropyl)-3-(quinolin-8-ylmethyl)imidazolidine-2,4,5-trione
CID 17492243

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one?
The IUPAC name of (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one (CID 73426869) is (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one is CCC[C@H]1C(=O)N(c2cccc3cccnc23)[C@H]1CC.
What is the InChIKey of (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one?
The InChIKey is FHTOTTVNJJSZBK-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-7-13-14(4-2)19(17(13)20)15-10-5-8-12-9-6-11-18-16(12)15/h5-6,8-11,13-14H,3-4,7H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one?
(3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethyl-3-propyl-1-quinolin-8-ylazetidin-2-one is sourced from PubChem (CID 73426869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).