[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine

C17H15ClN2O — CID 86301487

IUPAC[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine
SMILESNCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C17H15ClN2O/c18-15-3-1-2-12(7-15)11-21-16-5-4-14-6-13(9-19)10-20-17(14)8-16/h1-8,10H,9,11,19H2
InChIKeyMCQZTWVYBVBACG-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.93
Rot. Bonds4

About [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine

[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine (PubChem CID 86301487) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine.

Molecular Properties

Compound Name[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine
PubChem CID86301487
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine
SMILESNCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C17H15ClN2O/c18-15-3-1-2-12(7-15)11-21-16-5-4-14-6-13(9-19)10-20-17(14)8-16/h1-8,10H,9,11,19H2
InChIKeyMCQZTWVYBVBACG-UHFFFAOYSA-N
XLogP3.93
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine?
The IUPAC name of [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine (CID 86301487) is [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine.
What is the SMILES notation for [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine?
The canonical SMILES for [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine is NCc1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine?
The InChIKey is MCQZTWVYBVBACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-15-3-1-2-12(7-15)11-21-16-5-4-14-6-13(9-19)10-20-17(14)8-16/h1-8,10H,9,11,19H2.
What are the key properties of [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine?
[7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine has a molecular weight of 298.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[(3-chlorophenyl)methoxy]quinolin-3-yl]methanamine is sourced from PubChem (CID 86301487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).