tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate

C15H20N2O3 — CID 22868946

IUPACtert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
SMILESCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)16-11-9-10-7-5-6-8-12(10)17(4)13(11)18/h5-8,11H,9H2,1-4H3,(H,16,19)/t11-/m0/s1
InChIKeyIVJBTSJFHUWVOM-NSHDSACASA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds1

About tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate

tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate (PubChem CID 22868946) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
PubChem CID22868946
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nametert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate
SMILESCN1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21
InChIInChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)16-11-9-10-7-5-6-8-12(10)17(4)13(11)18/h5-8,11H,9H2,1-4H3,(H,16,19)/t11-/m0/s1
InChIKeyIVJBTSJFHUWVOM-NSHDSACASA-N
XLogP2.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate (CID 22868946) is tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate is CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc21.
What is the InChIKey of tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate?
The InChIKey is IVJBTSJFHUWVOM-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)20-14(19)16-11-9-10-7-5-6-8-12(10)17(4)13(11)18/h5-8,11H,9H2,1-4H3,(H,16,19)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate?
tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate has a molecular weight of 276.34 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-methyl-2-oxo-3,4-dihydroquinolin-3-yl]carbamate is sourced from PubChem (CID 22868946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).