tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

C14H16Cl2N2O3 — CID 178034102

IUPACtert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1Cc2c(Cl)cc(Cl)cc2NC1=O
InChIInChI=1S/C14H16Cl2N2O3/c1-14(2,3)21-13(20)18-11-6-8-9(16)4-7(15)5-10(8)17-12(11)19/h4-5,11H,6H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyUOJHLPSRWLLRKM-LLVKDONJSA-N
MW331.20 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate

tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (PubChem CID 178034102) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
PubChem CID178034102
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Nametert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1Cc2c(Cl)cc(Cl)cc2NC1=O
InChIInChI=1S/C14H16Cl2N2O3/c1-14(2,3)21-13(20)18-11-6-8-9(16)4-7(15)5-10(8)17-12(11)19/h4-5,11H,6H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1
InChIKeyUOJHLPSRWLLRKM-LLVKDONJSA-N
XLogP3.38
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate (CID 178034102) is tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1Cc2c(Cl)cc(Cl)cc2NC1=O.
What is the InChIKey of tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
The InChIKey is UOJHLPSRWLLRKM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-14(2,3)21-13(20)18-11-6-8-9(16)4-7(15)5-10(8)17-12(11)19/h4-5,11H,6H2,1-3H3,(H,17,19)(H,18,20)/t11-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate?
tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate has a molecular weight of 331.20 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-5,7-dichloro-2-oxo-3,4-dihydro-1H-quinolin-3-yl]carbamate is sourced from PubChem (CID 178034102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).