methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate

C14H14Cl2N2O2 — CID 143682129

IUPACmethyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2Cc3c(ccc(Cl)c3Cl)N=C2N)CC1
InChIInChI=1S/C14H14Cl2N2O2/c1-20-13(19)14(4-5-14)8-6-7-10(18-12(8)17)3-2-9(15)11(7)16/h2-3,8H,4-6H2,1H3,(H2,17,18)
InChIKeyVKCWUMCXVPKZFZ-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.11
Rot. Bonds2

About methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate

methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate (PubChem CID 143682129) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate
PubChem CID143682129
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Namemethyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C2Cc3c(ccc(Cl)c3Cl)N=C2N)CC1
InChIInChI=1S/C14H14Cl2N2O2/c1-20-13(19)14(4-5-14)8-6-7-10(18-12(8)17)3-2-9(15)11(7)16/h2-3,8H,4-6H2,1H3,(H2,17,18)
InChIKeyVKCWUMCXVPKZFZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate (CID 143682129) is methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate is COC(=O)C1(C2Cc3c(ccc(Cl)c3Cl)N=C2N)CC1.
What is the InChIKey of methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate?
The InChIKey is VKCWUMCXVPKZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-20-13(19)14(4-5-14)8-6-7-10(18-12(8)17)3-2-9(15)11(7)16/h2-3,8H,4-6H2,1H3,(H2,17,18).
What are the key properties of methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate?
methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate has a molecular weight of 313.18 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-amino-5,6-dichloro-3,4-dihydroquinolin-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 143682129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).