1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine

C13H12Cl2N2 — CID 117421019

IUPAC1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc3nc(Cl)ccc3c2Cl)CC1
InChIInChI=1S/C13H12Cl2N2/c14-11-4-2-9-10(17-11)3-1-8(12(9)15)7-13(16)5-6-13/h1-4H,5-7,16H2
InChIKeyBFHNBOSZWOHJCB-UHFFFAOYSA-N
MW267.16 g/mol
LogP3.58
Rot. Bonds2

About 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine

1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine (PubChem CID 117421019) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine
PubChem CID117421019
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine
SMILESNC1(Cc2ccc3nc(Cl)ccc3c2Cl)CC1
InChIInChI=1S/C13H12Cl2N2/c14-11-4-2-9-10(17-11)3-1-8(12(9)15)7-13(16)5-6-13/h1-4H,5-7,16H2
InChIKeyBFHNBOSZWOHJCB-UHFFFAOYSA-N
XLogP3.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine (CID 117421019) is 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine is NC1(Cc2ccc3nc(Cl)ccc3c2Cl)CC1.
What is the InChIKey of 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine?
The InChIKey is BFHNBOSZWOHJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-11-4-2-9-10(17-11)3-1-8(12(9)15)7-13(16)5-6-13/h1-4H,5-7,16H2.
What are the key properties of 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine?
1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine has a molecular weight of 267.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichloroquinolin-6-yl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 117421019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).