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

C22H21ClN2O — CID 44533072

IUPAC6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(NCc3ccc4ccccc4c3)c2c1.Cl
InChIInChI=1S/C22H20N2O.ClH/c1-15-11-22(20-13-19(25-2)9-10-21(20)24-15)23-14-16-7-8-17-5-3-4-6-18(17)12-16;/h3-13H,14H2,1-2H3,(H,23,24);1H
InChIKeyUHUJHAVJOYTNGN-UHFFFAOYSA-N
MW364.88 g/mol
LogP5.74
Rot. Bonds4

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

6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride (PubChem CID 44533072) has the molecular formula C22H21ClN2O and a molecular weight of 364.88 g/mol. Its IUPAC name is 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride
PubChem CID44533072
Molecular FormulaC22H21ClN2O
Molecular Weight364.88 g/mol
Exact Mass364.13
IUPAC Name6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride
SMILESCOc1ccc2nc(C)cc(NCc3ccc4ccccc4c3)c2c1.Cl
InChIInChI=1S/C22H20N2O.ClH/c1-15-11-22(20-13-19(25-2)9-10-21(20)24-15)23-14-16-7-8-17-5-3-4-6-18(17)12-16;/h3-13H,14H2,1-2H3,(H,23,24);1H
InChIKeyUHUJHAVJOYTNGN-UHFFFAOYSA-N
XLogP5.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.88
LogP ≤ 55.74
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-2-ylmethyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride (CID 44533072) is 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride is COc1ccc2nc(C)cc(NCc3ccc4ccccc4c3)c2c1.Cl.
What is the InChIKey of 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride?
The InChIKey is UHUJHAVJOYTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O.ClH/c1-15-11-22(20-13-19(25-2)9-10-21(20)24-15)23-14-16-7-8-17-5-3-4-6-18(17)12-16;/h3-13H,14H2,1-2H3,(H,23,24);1H.
What are the key properties of 6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride?
6-methoxy-2-methyl-N-(naphthalen-2-ylmethyl)quinolin-4-amine;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 5.74, 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-2-ylmethyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 44533072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).