tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

C14H18N2O3 — CID 57049298

IUPACtert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-11-8-9-6-4-5-7-10(9)15-12(11)17/h4-7,11H,8H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyFKDQTOFAIYTQQY-NSHDSACASA-N
MW262.31 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (PubChem CID 57049298) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
PubChem CID57049298
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-11-8-9-6-4-5-7-10(9)15-12(11)17/h4-7,11H,8H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1
InChIKeyFKDQTOFAIYTQQY-NSHDSACASA-N
XLogP2.07
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (CID 57049298) is tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1Cc2ccccc2NC1=O.
What is the InChIKey of tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The InChIKey is FKDQTOFAIYTQQY-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-11-8-9-6-4-5-7-10(9)15-12(11)17/h4-7,11H,8H2,1-3H3,(H,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate has a molecular weight of 262.31 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is sourced from PubChem (CID 57049298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).