tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate

C14H18Cl2N2O2 — CID 57366387

IUPACtert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,3)20-13(19)18-7-6-10(17)8-4-5-9(15)11(16)12(8)18/h4-5,10H,6-7,17H2,1-3H3
InChIKeyDDESUWWHKNTWNC-UHFFFAOYSA-N
MW317.22 g/mol
LogP4.14
Rot. Bonds

About tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 57366387) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID57366387
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Nametert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C14H18Cl2N2O2/c1-14(2,3)20-13(19)18-7-6-10(17)8-4-5-9(15)11(16)12(8)18/h4-5,10H,6-7,17H2,1-3H3
InChIKeyDDESUWWHKNTWNC-UHFFFAOYSA-N
XLogP4.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 57366387) is tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is DDESUWWHKNTWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-14(2,3)20-13(19)18-7-6-10(17)8-4-5-9(15)11(16)12(8)18/h4-5,10H,6-7,17H2,1-3H3.
What are the key properties of tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 317.22 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-7,8-dichloro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 57366387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).