[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine

C16H12Cl2N2O — CID 63377411

IUPAC[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N2O/c17-10-5-6-13(18)16(7-10)21-15-8-11(9-19)20-14-4-2-1-3-12(14)15/h1-8H,9,19H2
InChIKeyKYNJLVNYVFTLLC-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.79
Rot. Bonds3

About [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine

[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine (PubChem CID 63377411) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
PubChem CID63377411
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine
SMILESNCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12Cl2N2O/c17-10-5-6-13(18)16(7-10)21-15-8-11(9-19)20-14-4-2-1-3-12(14)15/h1-8H,9,19H2
InChIKeyKYNJLVNYVFTLLC-UHFFFAOYSA-N
XLogP4.79
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine?
The IUPAC name of [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine (CID 63377411) is [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine.
What is the SMILES notation for [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine?
The canonical SMILES for [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine is NCc1cc(Oc2cc(Cl)ccc2Cl)c2ccccc2n1.
What is the InChIKey of [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine?
The InChIKey is KYNJLVNYVFTLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c17-10-5-6-13(18)16(7-10)21-15-8-11(9-19)20-14-4-2-1-3-12(14)15/h1-8H,9,19H2.
What are the key properties of [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine?
[4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine has a molecular weight of 319.19 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dichlorophenoxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).