4-methoxy-N-(quinolin-4-ylmethyl)aniline

C17H16N2O — CID 63850882

IUPAC4-methoxy-N-(quinolin-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-20-15-8-6-14(7-9-15)19-12-13-10-11-18-17-5-3-2-4-16(13)17/h2-11,19H,12H2,1H3
InChIKeyNSHFSWITHSJBJV-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds4

About 4-methoxy-N-(quinolin-4-ylmethyl)aniline

4-methoxy-N-(quinolin-4-ylmethyl)aniline (PubChem CID 63850882) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methoxy-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-methoxy-N-(quinolin-4-ylmethyl)aniline
PubChem CID63850882
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-methoxy-N-(quinolin-4-ylmethyl)aniline
SMILESCOc1ccc(NCc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H16N2O/c1-20-15-8-6-14(7-9-15)19-12-13-10-11-18-17-5-3-2-4-16(13)17/h2-11,19H,12H2,1H3
InChIKeyNSHFSWITHSJBJV-UHFFFAOYSA-N
XLogP3.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(quinolin-4-ylmethyl)aniline
CID 57199115
1-(4-methoxyphenyl)-N-(quinolin-4-ylmethyl)methanamine
CID 63850040
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053
4-methoxy-N-(quinolin-4-ylmethyl)benzamide
CID 110734220
N-methoxy-1-quinolin-4-ylmethanamine
CID 79235633
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
4-methoxy-N-[(2-phenyl-3H-imidazo[4,5-f]quinolin-9-yl)methyl]aniline
CID 70460888
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
4-methoxy-N-[(2-methylpyrido[2,3-d]pyrimidin-4-yl)methyl]aniline
CID 68516140
N-(quinolin-4-ylmethyl)ethanamine
CID 58978367

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 4-methoxy-N-(quinolin-4-ylmethyl)aniline (CID 63850882) is 4-methoxy-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 4-methoxy-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 4-methoxy-N-(quinolin-4-ylmethyl)aniline is COc1ccc(NCc2ccnc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is NSHFSWITHSJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-20-15-8-6-14(7-9-15)19-12-13-10-11-18-17-5-3-2-4-16(13)17/h2-11,19H,12H2,1H3.
What are the key properties of 4-methoxy-N-(quinolin-4-ylmethyl)aniline?
4-methoxy-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 264.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 63850882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).