N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine

C19H19ClN2O — CID 872108

IUPACN-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine
SMILESCOc1cccc2c(C)cc(NCCc3cccc(Cl)c3)nc12
InChIInChI=1S/C19H19ClN2O/c1-13-11-18(21-10-9-14-5-3-6-15(20)12-14)22-19-16(13)7-4-8-17(19)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyKIDHHOWTHOMYHZ-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.86
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine

N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine (PubChem CID 872108) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine
PubChem CID872108
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine
SMILESCOc1cccc2c(C)cc(NCCc3cccc(Cl)c3)nc12
InChIInChI=1S/C19H19ClN2O/c1-13-11-18(21-10-9-14-5-3-6-15(20)12-14)22-19-16(13)7-4-8-17(19)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyKIDHHOWTHOMYHZ-UHFFFAOYSA-N
XLogP4.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-[2-(3-chlorophenyl)ethyl]-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112876724
5-N-[2-(3-chlorophenyl)ethyl]-3-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112954027
8-methoxy-4-methyl-N-(3-morpholin-4-ylpropyl)quinolin-2-amine
CID 27271084
7-chloro-4-methyl-N-(2-phenylethyl)quinolin-2-amine
CID 871628
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112901406
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
2-N-(3-chlorophenyl)-4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112922555
2-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 112901460
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
N-[2-(3-chlorophenyl)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113098413
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
6-N-[2-(3-chlorophenyl)ethyl]-2-methyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 112867720

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine (CID 872108) is N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine is COc1cccc2c(C)cc(NCCc3cccc(Cl)c3)nc12.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine?
The InChIKey is KIDHHOWTHOMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O/c1-13-11-18(21-10-9-14-5-3-6-15(20)12-14)22-19-16(13)7-4-8-17(19)23-2/h3-8,11-12H,9-10H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine?
N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine has a molecular weight of 326.83 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-8-methoxy-4-methylquinolin-2-amine is sourced from PubChem (CID 872108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).