N-methoxy-1-quinolin-4-ylmethanamine

C11H12N2O — CID 79235633

IUPACN-methoxy-1-quinolin-4-ylmethanamine
SMILESCONCc1ccnc2ccccc12
InChIInChI=1S/C11H12N2O/c1-14-13-8-9-6-7-12-11-5-3-2-4-10(9)11/h2-7,13H,8H2,1H3
InChIKeyWUOMHLMNCPCJQT-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.89
Rot. Bonds3

About N-methoxy-1-quinolin-4-ylmethanamine

N-methoxy-1-quinolin-4-ylmethanamine (PubChem CID 79235633) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methoxy-1-quinolin-4-ylmethanamine.

Molecular Properties

Compound NameN-methoxy-1-quinolin-4-ylmethanamine
PubChem CID79235633
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-methoxy-1-quinolin-4-ylmethanamine
SMILESCONCc1ccnc2ccccc12
InChIInChI=1S/C11H12N2O/c1-14-13-8-9-6-7-12-11-5-3-2-4-10(9)11/h2-7,13H,8H2,1H3
InChIKeyWUOMHLMNCPCJQT-UHFFFAOYSA-N
XLogP1.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
N-(quinolin-4-ylmethyl)aniline
CID 57199115
methyl 2-(quinolin-4-ylmethylamino)propanoate
CID 55251614
N-(quinolin-4-ylmethyl)ethenamine
CID 166934821
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
2-methyl-2-(quinolin-4-ylmethylamino)propan-1-ol
CID 63868080
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-quinolin-4-ylmethanamine?
The IUPAC name of N-methoxy-1-quinolin-4-ylmethanamine (CID 79235633) is N-methoxy-1-quinolin-4-ylmethanamine.
What is the SMILES notation for N-methoxy-1-quinolin-4-ylmethanamine?
The canonical SMILES for N-methoxy-1-quinolin-4-ylmethanamine is CONCc1ccnc2ccccc12.
What is the InChIKey of N-methoxy-1-quinolin-4-ylmethanamine?
The InChIKey is WUOMHLMNCPCJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-14-13-8-9-6-7-12-11-5-3-2-4-10(9)11/h2-7,13H,8H2,1H3.
What are the key properties of N-methoxy-1-quinolin-4-ylmethanamine?
N-methoxy-1-quinolin-4-ylmethanamine has a molecular weight of 188.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-quinolin-4-ylmethanamine is sourced from PubChem (CID 79235633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).