[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine

C18H16Cl2N2O2 — CID 141399848

IUPAC[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN)c(OC)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-23-11-4-6-16-13(8-11)18(24-2)14(9-21)17(22-16)12-5-3-10(19)7-15(12)20/h3-8H,9,21H2,1-2H3
InChIKeyOXIARVKWYJZJAH-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.68
Rot. Bonds4

About [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine

[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine (PubChem CID 141399848) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
PubChem CID141399848
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine
SMILESCOc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN)c(OC)c2c1
InChIInChI=1S/C18H16Cl2N2O2/c1-23-11-4-6-16-13(8-11)18(24-2)14(9-21)17(22-16)12-5-3-10(19)7-15(12)20/h3-8H,9,21H2,1-2H3
InChIKeyOXIARVKWYJZJAH-UHFFFAOYSA-N
XLogP4.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-6-methoxy-4-(methoxymethyl)quinoline-3-carbonitrile
CID 165085209
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
[5-(2,4-dichlorophenyl)-2,6-bis(4-methoxyphenyl)-3-pyridinyl]methanamine
CID 69347292
3-(2,7-dimethoxyacridin-9-yl)oxypropan-1-amine
CID 53475922
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-[(4-fluorophenoxy)methyl]pyrimidin-4-amine
CID 10237546
2-(aminomethyl)-4-(2-chloro-4-methoxyphenyl)-1,3-thiazole-5-carbonitrile
CID 98022846
4-(4-chlorophenyl)-6-methoxy-2-(4-methoxyphenyl)quinoline
CID 11100859
2-(5-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine
CID 82875655
2-[5-(2-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]ethanamine
CID 82487138
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
N'-(6-chloro-2-methoxyacridin-9-yl)heptane-1,7-diamine
CID 511167
2-[2-amino-6-(2,4-dichlorophenyl)-4-pyridinyl]-5-methoxyphenol
CID 175922121

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine?
The IUPAC name of [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine (CID 141399848) is [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine?
The canonical SMILES for [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine is COc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CN)c(OC)c2c1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine?
The InChIKey is OXIARVKWYJZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c1-23-11-4-6-16-13(8-11)18(24-2)14(9-21)17(22-16)12-5-3-10(19)7-15(12)20/h3-8H,9,21H2,1-2H3.
What are the key properties of [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine?
[2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine has a molecular weight of 363.24 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-4,6-dimethoxyquinolin-3-yl]methanamine is sourced from PubChem (CID 141399848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).