N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine

C18H17ClN2O — CID 70112929

IUPACN-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H17ClN2O/c1-22-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-13-2-4-14(19)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyCTAXMWKOXFBWCI-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.55
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine

N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine (PubChem CID 70112929) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
PubChem CID70112929
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nccc(NCCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C18H17ClN2O/c1-22-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-13-2-4-14(19)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21)
InChIKeyCTAXMWKOXFBWCI-UHFFFAOYSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine (CID 70112929) is N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine is COc1ccc2nccc(NCCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine?
The InChIKey is CTAXMWKOXFBWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c1-22-15-6-7-17-16(12-15)18(9-11-21-17)20-10-8-13-2-4-14(19)5-3-13/h2-7,9,11-12H,8,10H2,1H3,(H,20,21).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine?
N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-methoxyquinolin-4-amine is sourced from PubChem (CID 70112929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).