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

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Related Compounds

PF-04859989
CID 22868923
(4S)-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 137526050
Acetamide, 2-(ethylamino)-N-(4-(1,2,3,4-tetrahydro-3-oxo-1-isoquinolinyl)phenyl)-
CID 3041426
Tert-Butyl [(2r,3s)-1-(1,4-Dimethyl-2-Oxo-1,2-Dihydroquinolin-7-Yl)-6-Oxo-2-Phenylpiperidin-3-Yl]carbamate
CID 91757968
N-[(1-methyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
CID 122188347
N-[(1-propyl-3,4-dihydro-2H-quinolin-2-yl)methyl]acetamide
CID 122188349
(2S)-aminobutyryl-(2S)-indoline carboxylic acid ethylamide
CID 11572637
(2S)-aminobutyryl-(2S)-indoline carboxylic acid methylamide
CID 11680498
tert-butyl (R)-3-(2-fluorophenyl)-1-((R)-1-isopropyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-1-oxopropan-2-ylcarbamate
CID 24874788
n-{1-[3-(5-Fluoro-2-oxo-3,4-dihydro-2h-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 44207904
N-{1-[3-(7-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930342
(3S)-3-amino-5-fluoro-1-hydroxy-3,4-dihydroquinolin-2-one
CID 53254440

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).