tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate

C17H20N2O3 — CID 59029475

IUPACtert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)19-11-14(20)9-12-8-13-6-4-5-7-15(13)18-10-12/h4-8,10H,9,11H2,1-3H3,(H,19,21)
InChIKeyZFGGGIPJPUKNPM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.87
Rot. Bonds4

About tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate

tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate (PubChem CID 59029475) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
PubChem CID59029475
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nametert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)19-11-14(20)9-12-8-13-6-4-5-7-15(13)18-10-12/h4-8,10H,9,11H2,1-3H3,(H,19,21)
InChIKeyZFGGGIPJPUKNPM-UHFFFAOYSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(quinolin-3-ylmethyl)butyl]carbamate
CID 139378061
tert-butyl N-[3-(6-ethyl-3-pyridinyl)-2-oxopropyl]carbamate
CID 159313712
N-(2-tert-butylsulfanylethyl)-2-quinolin-3-ylacetamide
CID 99629161
tert-butyl N-[3-(3-methylphenyl)-2-oxopropyl]carbamate
CID 59029479
tert-butyl N-[3-(3-chlorophenyl)-2-oxopropyl]carbamate
CID 59029504
methyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylheptanoate
CID 54507168
tert-butyl [(Z)-3-quinolin-3-ylprop-1-enyl] carbonate
CID 69349929
(2-oxo-3-quinolin-3-ylpropyl) dihydrogen phosphate
CID 167094714
tert-butyl N-(acridin-4-ylmethyl)carbamate
CID 154037573
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinoline-2-carboxylic acid
CID 177053270
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-quinolin-3-ylpropanoic acid
CID 59681968
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate (CID 59029475) is tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate?
The InChIKey is ZFGGGIPJPUKNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2,3)22-16(21)19-11-14(20)9-12-8-13-6-4-5-7-15(13)18-10-12/h4-8,10H,9,11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate?
tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate has a molecular weight of 300.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-3-quinolin-3-ylpropyl)carbamate is sourced from PubChem (CID 59029475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).