8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine

C18H18N2O2 — CID 68554779

IUPAC8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccccc1Cc1cc2cccc(OC)c2nc1N
InChIInChI=1S/C18H18N2O2/c1-21-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16(22-2)17(13)20-18(14)19/h3-9,11H,10H2,1-2H3,(H2,19,20)
InChIKeyPYCNZMYJPRAQRD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.42
Rot. Bonds4

About 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine

8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine (PubChem CID 68554779) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
PubChem CID68554779
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine
SMILESCOc1ccccc1Cc1cc2cccc(OC)c2nc1N
InChIInChI=1S/C18H18N2O2/c1-21-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16(22-2)17(13)20-18(14)19/h3-9,11H,10H2,1-2H3,(H2,19,20)
InChIKeyPYCNZMYJPRAQRD-UHFFFAOYSA-N
XLogP3.42
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine?
The IUPAC name of 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine (CID 68554779) is 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine.
What is the SMILES notation for 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine?
The canonical SMILES for 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine is COc1ccccc1Cc1cc2cccc(OC)c2nc1N.
What is the InChIKey of 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine?
The InChIKey is PYCNZMYJPRAQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-21-15-8-4-3-6-12(15)10-14-11-13-7-5-9-16(22-2)17(13)20-18(14)19/h3-9,11H,10H2,1-2H3,(H2,19,20).
What are the key properties of 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine?
8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine has a molecular weight of 294.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(2-methoxyphenyl)methyl]quinolin-2-amine is sourced from PubChem (CID 68554779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).