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

C17H15ClN2 — CID 43672377

IUPAC6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccccc1CNc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H15ClN2/c1-12-5-2-3-6-14(12)11-20-16-10-15(18)9-13-7-4-8-19-17(13)16/h2-10,20H,11H2,1H3
InChIKeyNVUYCTZKWAUFGG-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.81
Rot. Bonds3

About 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine

6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine (PubChem CID 43672377) has the molecular formula C17H15ClN2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
PubChem CID43672377
Molecular FormulaC17H15ClN2
Molecular Weight282.77 g/mol
Exact Mass282.09
IUPAC Name6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
SMILESCc1ccccc1CNc1cc(Cl)cc2cccnc12
InChIInChI=1S/C17H15ClN2/c1-12-5-2-3-6-14(12)11-20-16-10-15(18)9-13-7-4-8-19-17(13)16/h2-10,20H,11H2,1H3
InChIKeyNVUYCTZKWAUFGG-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

N-[(2-bromophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672427
5-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 60928600
6-chloro-N-pentylquinolin-8-amine
CID 43672340
6-chloro-N-(thiophen-3-ylmethyl)quinolin-8-amine
CID 43672406
6-chloro-N-hexylquinolin-8-amine
CID 43672362
6-chloro-8-methyl-N-[(2-methylphenyl)methyl]quinolin-5-amine
CID 43674610
N-[(5-bromofuran-2-yl)methyl]-6-chloroquinolin-8-amine
CID 43672409
N-[(3-bromo-4-fluorophenyl)methyl]-6-chloroquinolin-8-amine
CID 43672441
(6-chloroquinolin-8-yl)hydrazine
CID 138505780
6-methyl-2-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109327440
5-[(2-methylphenyl)methylamino]-N-quinolin-8-ylpyrazine-2-carboxamide
CID 109280202
2-ethoxy-N-[(2-methylphenyl)methyl]pyridin-3-amine
CID 43706219

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The IUPAC name of 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine (CID 43672377) is 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine.
What is the SMILES notation for 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The canonical SMILES for 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine is Cc1ccccc1CNc1cc(Cl)cc2cccnc12.
What is the InChIKey of 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
The InChIKey is NVUYCTZKWAUFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2/c1-12-5-2-3-6-14(12)11-20-16-10-15(18)9-13-7-4-8-19-17(13)16/h2-10,20H,11H2,1H3.
What are the key properties of 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine?
6-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 6-chloro-N-[(2-methylphenyl)methyl]quinolin-8-amine is sourced from PubChem (CID 43672377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).