3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one

C17H20N2O3 — CID 176685707

IUPAC3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1c(CN2CCOC2=O)n(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C17H20N2O3/c1-11(2)19-14-7-5-4-6-13(14)16(20)12(3)15(19)10-18-8-9-22-17(18)21/h4-7,11H,8-10H2,1-3H3
InChIKeyKXNLGHCEVFNWLY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.84
Rot. Bonds3

About 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one

3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 176685707) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID176685707
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESCc1c(CN2CCOC2=O)n(C(C)C)c2ccccc2c1=O
InChIInChI=1S/C17H20N2O3/c1-11(2)19-14-7-5-4-6-13(14)16(20)12(3)15(19)10-18-8-9-22-17(18)21/h4-7,11H,8-10H2,1-3H3
InChIKeyKXNLGHCEVFNWLY-UHFFFAOYSA-N
XLogP2.84
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-iodo-2-methyl-1-propan-2-ylquinolin-4-one
CID 176548683
2-(3-methyl-1-propan-2-ylindol-2-yl)acetic acid
CID 83860122
N,3-dimethyl-4-oxo-1-propan-2-ylquinoline-2-carboxamide
CID 176548686
2-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]acetic acid
CID 81318059
4-propan-2-yl-1,2-dihydro-[1,3]oxazolo[3,2-a]quinolin-5-one
CID 176762518
3-[(2-methylbenzene-3-id-1-yl)methyl]-1,3-oxazolidin-2-one;yttrium
CID 164530225
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-(2-amino-2-naphthalen-1-ylethyl)-1,3-oxazolidin-2-one
CID 43211561
3-[[2-(methylamino)-3-pyridinyl]methyl]-1,3-oxazolidin-2-one
CID 62465616
3-methyl-1,3-oxazinan-2-one;toluene
CID 161105180
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)acetamide
CID 110686496
2-methyl-3-phenyl-4-propan-2-ylfuro[3,2-b]quinolin-9-one
CID 170419866

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one (CID 176685707) is 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one is Cc1c(CN2CCOC2=O)n(C(C)C)c2ccccc2c1=O.
What is the InChIKey of 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is KXNLGHCEVFNWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)19-14-7-5-4-6-13(14)16(20)12(3)15(19)10-18-8-9-22-17(18)21/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one?
3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 300.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4-oxo-1-propan-2-ylquinolin-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 176685707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).