N-benzyl-6,7-dimethoxyquinolin-3-amine

C18H18N2O2 — CID 10424517

IUPACN-benzyl-6,7-dimethoxyquinolin-3-amine
SMILESCOc1cc2cc(NCc3ccccc3)cnc2cc1OC
InChIInChI=1S/C18H18N2O2/c1-21-17-9-14-8-15(12-20-16(14)10-18(17)22-2)19-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3
InChIKeyJDKRDQWKIJSKHE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.86
Rot. Bonds5

About N-benzyl-6,7-dimethoxyquinolin-3-amine

N-benzyl-6,7-dimethoxyquinolin-3-amine (PubChem CID 10424517) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-benzyl-6,7-dimethoxyquinolin-3-amine.

Molecular Properties

Compound NameN-benzyl-6,7-dimethoxyquinolin-3-amine
PubChem CID10424517
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-benzyl-6,7-dimethoxyquinolin-3-amine
SMILESCOc1cc2cc(NCc3ccccc3)cnc2cc1OC
InChIInChI=1S/C18H18N2O2/c1-21-17-9-14-8-15(12-20-16(14)10-18(17)22-2)19-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3
InChIKeyJDKRDQWKIJSKHE-UHFFFAOYSA-N
XLogP3.86
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6,7-dimethoxyquinolin-3-amine?
The IUPAC name of N-benzyl-6,7-dimethoxyquinolin-3-amine (CID 10424517) is N-benzyl-6,7-dimethoxyquinolin-3-amine.
What is the SMILES notation for N-benzyl-6,7-dimethoxyquinolin-3-amine?
The canonical SMILES for N-benzyl-6,7-dimethoxyquinolin-3-amine is COc1cc2cc(NCc3ccccc3)cnc2cc1OC.
What is the InChIKey of N-benzyl-6,7-dimethoxyquinolin-3-amine?
The InChIKey is JDKRDQWKIJSKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-17-9-14-8-15(12-20-16(14)10-18(17)22-2)19-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3.
What are the key properties of N-benzyl-6,7-dimethoxyquinolin-3-amine?
N-benzyl-6,7-dimethoxyquinolin-3-amine has a molecular weight of 294.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6,7-dimethoxyquinolin-3-amine is sourced from PubChem (CID 10424517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).