N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine

C17H15ClN2O — CID 50877911

IUPACN-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(Cl)c3C)ccnc2c1
InChIInChI=1S/C17H15ClN2O/c1-11-14(18)4-3-5-15(11)20-16-8-9-19-17-10-12(21-2)6-7-13(16)17/h3-10H,1-2H3,(H,19,20)
InChIKeyJMOMDVDIVPVBBC-UHFFFAOYSA-N
MW298.77 g/mol
LogP4.95
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine

N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine (PubChem CID 50877911) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
PubChem CID50877911
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC NameN-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
SMILESCOc1ccc2c(Nc3cccc(Cl)c3C)ccnc2c1
InChIInChI=1S/C17H15ClN2O/c1-11-14(18)4-3-5-15(11)20-16-8-9-19-17-10-12(21-2)6-7-13(16)17/h3-10H,1-2H3,(H,19,20)
InChIKeyJMOMDVDIVPVBBC-UHFFFAOYSA-N
XLogP4.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
7-chloro-N-(3-methoxyphenyl)quinolin-4-amine
CID 50877151
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine;ethane
CID 153341767
7-chloro-N-(2,4-dimethoxyphenyl)-8-methylquinolin-4-amine
CID 43860071
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
6-N-(3-chloro-2-methylphenyl)-4-N-(2,5-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112865872
7-methoxy-N-[4-(methylaminosulfanyl)phenyl]quinolin-4-amine
CID 168886839
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338
N-(3-chloro-2-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 78908946
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
4-N-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
7-bromo-N-(2,5-dimethoxyphenyl)quinolin-4-amine
CID 50877861

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine (CID 50877911) is N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine is COc1ccc2c(Nc3cccc(Cl)c3C)ccnc2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine?
The InChIKey is JMOMDVDIVPVBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O/c1-11-14(18)4-3-5-15(11)20-16-8-9-19-17-10-12(21-2)6-7-13(16)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine?
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine has a molecular weight of 298.77 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine is sourced from PubChem (CID 50877911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).