5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine

C17H15ClN2 — CID 60928600

IUPAC5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccccc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H15ClN2/c1-12-5-2-3-6-13(12)11-20-16-9-8-15(18)14-7-4-10-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyVZJAFFUNUJPNRP-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.81
Rot. Bonds3

About 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine

5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine (PubChem CID 60928600) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
PubChem CID60928600
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccccc1CNc1ccc(Cl)c2cccnc12
InChIInChI=1S/C17H15ClN2/c1-12-5-2-3-6-13(12)11-20-16-9-8-15(18)14-7-4-10-19-17(14)16/h2-10,20H,11H2,1H3
InChIKeyVZJAFFUNUJPNRP-UHFFFAOYSA-N
XLogP4.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(2-methoxyphenyl)methyl]quinolin-8-amine
CID 60927659
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
5-chloro-N-[(5-methylthiophen-2-yl)methyl]quinolin-8-amine
CID 54862962
5-chloro-N-[(4-fluoro-3-methylphenyl)methyl]quinolin-8-amine
CID 63448788
8-chloro-N-[(2-ethylphenyl)methyl]quinolin-5-amine
CID 63445925
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
5-chloro-N-[(5-methyl-1H-imidazol-4-yl)methyl]quinolin-8-amine
CID 62741375
6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 43672377
N-[(2,3-dichlorophenyl)methyl]-8-methylquinolin-5-amine
CID 43731505
5-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-8-amine
CID 54862876
N-[(5-chloroquinolin-8-yl)methyl]-2-fluoro-4-methylaniline
CID 115959079
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]quinolin-8-amine
CID 116783860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The IUPAC name of 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine (CID 60928600) is 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine is Cc1ccccc1CNc1ccc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The InChIKey is VZJAFFUNUJPNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-5-2-3-6-13(12)11-20-16-9-8-15(18)14-7-4-10-19-17(14)16/h2-10,20H,11H2,1H3.
What are the key properties of 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine has a molecular weight of 282.77 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 60928600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).