tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate

C14H17ClN2O3 — CID 54520306

IUPACtert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C14H17ClN2O3/c1-14(2,3)20-13(19)17-11-6-8-4-5-9(15)7-10(8)16-12(11)18/h4-5,7,11H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYPINPHJHYMWBOG-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.73
Rot. Bonds1

About tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate

tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate (PubChem CID 54520306) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
PubChem CID54520306
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Nametert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1Cc2ccc(Cl)cc2NC1=O
InChIInChI=1S/C14H17ClN2O3/c1-14(2,3)20-13(19)17-11-6-8-4-5-9(15)7-10(8)16-12(11)18/h4-5,7,11H,6H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyYPINPHJHYMWBOG-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate (CID 54520306) is tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate is CC(C)(C)OC(=O)NC1Cc2ccc(Cl)cc2NC1=O.
What is the InChIKey of tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
The InChIKey is YPINPHJHYMWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-14(2,3)20-13(19)17-11-6-8-4-5-9(15)7-10(8)16-12(11)18/h4-5,7,11H,6H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate?
tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate has a molecular weight of 296.75 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(7-chloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl)carbamate is sourced from PubChem (CID 54520306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).