(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one

C19H24N2O3 — CID 97040954

IUPAC(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCCc2ccccc21
InChIInChI=1S/C19H24N2O3/c22-18-12-15(13-21(18)16-7-10-24-11-8-16)19(23)20-9-3-5-14-4-1-2-6-17(14)20/h1-2,4,6,15-16H,3,5,7-13H2/t15-/m0/s1
InChIKeyCKLMTUKLVMYYTP-HNNXBMFYSA-N
MW328.41 g/mol
LogP1.99
Rot. Bonds2

About (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one

(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 97040954) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID97040954
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCCc2ccccc21
InChIInChI=1S/C19H24N2O3/c22-18-12-15(13-21(18)16-7-10-24-11-8-16)19(23)20-9-3-5-14-4-1-2-6-17(14)20/h1-2,4,6,15-16H,3,5,7-13H2/t15-/m0/s1
InChIKeyCKLMTUKLVMYYTP-HNNXBMFYSA-N
XLogP1.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-ethylpyrrolidin-2-one
CID 47166895
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110612523
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 113188578
(4R)-1-(4-chlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 7337151
3,4-dihydro-2H-quinolin-1-yl(oxan-3-yl)methanone
CID 71879683
1-(2,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 113190991
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
1-cycloheptyl-N-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113185559
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carbaldehyde
CID 90567956

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one (CID 97040954) is (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(C2CCOCC2)C1)N1CCCc2ccccc21.
What is the InChIKey of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is CKLMTUKLVMYYTP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-18-12-15(13-21(18)16-7-10-24-11-8-16)19(23)20-9-3-5-14-4-1-2-6-17(14)20/h1-2,4,6,15-16H,3,5,7-13H2/t15-/m0/s1.
What are the key properties of (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one?
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 328.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 97040954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).