N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine

C14H14Cl2N2 — CID 82449427

IUPACN-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H14Cl2N2/c1-8-4-9(7-17-11-2-3-11)14-12(16)5-10(15)6-13(14)18-8/h4-6,11,17H,2-3,7H2,1H3
InChIKeyBGWIEBIVZOFDGE-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.10
Rot. Bonds3

About N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine

N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine (PubChem CID 82449427) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
PubChem CID82449427
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC NameN-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine
SMILESCc1cc(CNC2CC2)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H14Cl2N2/c1-8-4-9(7-17-11-2-3-11)14-12(16)5-10(15)6-13(14)18-8/h4-6,11,17H,2-3,7H2,1H3
InChIKeyBGWIEBIVZOFDGE-UHFFFAOYSA-N
XLogP4.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6,8-dichloro-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82449372
4-(5,7-dichloro-2-methylquinolin-4-yl)butan-1-amine
CID 82577818
4-ethyl-N-[(2-methylquinolin-4-yl)methyl]cyclohexan-1-amine
CID 78943048
N-[[2-(2,4,6-trichlorophenyl)phenyl]methyl]cyclopropanamine
CID 105350078
N-[(2,6-dimethylquinolin-4-yl)methyl]cyclopentanamine
CID 82448124
N-[(5,7-dichloro-2-methyl-1H-indol-3-yl)methyl]cyclopropanamine
CID 65335148
5,7-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449422
N-[(6-ethyl-2-methylquinolin-4-yl)methyl]cyclopentanamine
CID 82448232
N-[[4-chloro-1-(3-methoxypropyl)-6-methylpyrrolo[2,3-b]pyridin-3-yl]methyl]cyclopropanamine
CID 59494685
N-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]methyl]cyclopropanamine
CID 63807198
N-[[2-(3-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62402346
5,7-dichloro-2-methylquinoline-4-carboxylate
CID 7200781

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine (CID 82449427) is N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine is Cc1cc(CNC2CC2)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine?
The InChIKey is BGWIEBIVZOFDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-8-4-9(7-17-11-2-3-11)14-12(16)5-10(15)6-13(14)18-8/h4-6,11,17H,2-3,7H2,1H3.
What are the key properties of N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine?
N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine has a molecular weight of 281.19 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dichloro-2-methylquinolin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 82449427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).