6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine

C22H20N2O — CID 44533067

IUPAC6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H20N2O/c1-15-12-22(20-13-18(25-2)10-11-21(20)24-15)23-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyIGCPSILDAHBVKG-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.32
Rot. Bonds4

About 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine

6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine (PubChem CID 44533067) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine
PubChem CID44533067
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine
SMILESCOc1ccc2nc(C)cc(NCc3cccc4ccccc34)c2c1
InChIInChI=1S/C22H20N2O/c1-15-12-22(20-13-18(25-2)10-11-21(20)24-15)23-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyIGCPSILDAHBVKG-UHFFFAOYSA-N
XLogP5.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine?
The IUPAC name of 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine (CID 44533067) is 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine?
The canonical SMILES for 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine is COc1ccc2nc(C)cc(NCc3cccc4ccccc34)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine?
The InChIKey is IGCPSILDAHBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15-12-22(20-13-18(25-2)10-11-21(20)24-15)23-14-17-8-5-7-16-6-3-4-9-19(16)17/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine?
6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-N-(naphthalen-1-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 44533067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).