4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline

C17H15ClN2O — CID 107268053

IUPAC4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
SMILESCOc1cc(NCc2ccnc3ccccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-21-17-10-13(6-7-15(17)18)20-11-12-8-9-19-16-5-3-2-4-14(12)16/h2-10,20H,11H2,1H3
InChIKeyCGZDYZDUFJWOLA-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline

4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline (PubChem CID 107268053) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
PubChem CID107268053
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
SMILESCOc1cc(NCc2ccnc3ccccc23)ccc1Cl
InChIInChI=1S/C17H15ClN2O/c1-21-17-10-13(6-7-15(17)18)20-11-12-8-9-19-16-5-3-2-4-14(12)16/h2-10,20H,11H2,1H3
InChIKeyCGZDYZDUFJWOLA-UHFFFAOYSA-N
XLogP4.51
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
N-(quinolin-4-ylmethyl)aniline
CID 57199115
4-chloro-3-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107621318
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
methyl 2-[(4-chloro-3-methoxyanilino)methyl]benzoate
CID 107272147
3-bromo-N-(quinolin-4-ylmethyl)aniline
CID 55252220
3-[(4-chloro-3-methoxyanilino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136687950
3,4-dichloro-N-[(2-methylquinolin-4-yl)methyl]aniline
CID 79233028
2-chloro-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 83072892
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
3,4-dimethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 23769843

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline (CID 107268053) is 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline is COc1cc(NCc2ccnc3ccccc23)ccc1Cl.
What is the InChIKey of 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is CGZDYZDUFJWOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-21-17-10-13(6-7-15(17)18)20-11-12-8-9-19-16-5-3-2-4-14(12)16/h2-10,20H,11H2,1H3.
What are the key properties of 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline?
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 298.77 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 107268053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).