N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine

C18H24N2O — CID 107417660

IUPACN-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCOc1cccc2ccc(CNCC3CCCC3C)nc12
InChIInChI=1S/C18H24N2O/c1-13-5-3-7-15(13)11-19-12-16-10-9-14-6-4-8-17(21-2)18(14)20-16/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3
InChIKeySHOGWKZJADELQW-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.77
Rot. Bonds5

About N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine

N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine (PubChem CID 107417660) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
PubChem CID107417660
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine
SMILESCOc1cccc2ccc(CNCC3CCCC3C)nc12
InChIInChI=1S/C18H24N2O/c1-13-5-3-7-15(13)11-19-12-16-10-9-14-6-4-8-17(21-2)18(14)20-16/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3
InChIKeySHOGWKZJADELQW-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine (CID 107417660) is N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine is COc1cccc2ccc(CNCC3CCCC3C)nc12.
What is the InChIKey of N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
The InChIKey is SHOGWKZJADELQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13-5-3-7-15(13)11-19-12-16-10-9-14-6-4-8-17(21-2)18(14)20-16/h4,6,8-10,13,15,19H,3,5,7,11-12H2,1-2H3.
What are the key properties of N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine?
N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine has a molecular weight of 284.40 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxyquinolin-2-yl)methyl]-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107417660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).