(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

C17H20N2O2 — CID 45276062

IUPAC(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2C(C)C)nc2c(C)cccc12
InChIInChI=1S/C17H20N2O2/c1-10(2)14-9-21-17(20)19(14)15-8-12(4)13-7-5-6-11(3)16(13)18-15/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyBQCGPXNEMHFHLA-CQSZACIVSA-N
MW284.36 g/mol
LogP3.83
Rot. Bonds2

About (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 45276062) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID45276062
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(N2C(=O)OC[C@@H]2C(C)C)nc2c(C)cccc12
InChIInChI=1S/C17H20N2O2/c1-10(2)14-9-21-17(20)19(14)15-8-12(4)13-7-5-6-11(3)16(13)18-15/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1
InChIKeyBQCGPXNEMHFHLA-CQSZACIVSA-N
XLogP3.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 45276062) is (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(N2C(=O)OC[C@@H]2C(C)C)nc2c(C)cccc12.
What is the InChIKey of (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is BQCGPXNEMHFHLA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10(2)14-9-21-17(20)19(14)15-8-12(4)13-7-5-6-11(3)16(13)18-15/h5-8,10,14H,9H2,1-4H3/t14-/m1/s1.
What are the key properties of (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(4,8-dimethylquinolin-2-yl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45276062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).