2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine

C24H29ClN2O3 — CID 71449705

IUPAC2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
SMILESCCN(CC)c1ccc(OC)c2nc(-c3c(Cl)cc(COC)cc3OC)c(C)cc12
InChIInChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3
InChIKeyHDXQYYYZPINBML-UHFFFAOYSA-N
MW428.96 g/mol
LogP5.87
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine

2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine (PubChem CID 71449705) has the molecular formula C24H29ClN2O3 and a molecular weight of 428.96 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
PubChem CID71449705
Molecular FormulaC24H29ClN2O3
Molecular Weight428.96 g/mol
Exact Mass428.19
IUPAC Name2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine
SMILESCCN(CC)c1ccc(OC)c2nc(-c3c(Cl)cc(COC)cc3OC)c(C)cc12
InChIInChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3
InChIKeyHDXQYYYZPINBML-UHFFFAOYSA-N
XLogP5.87
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.96
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine?
The IUPAC name of 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine (CID 71449705) is 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine is CCN(CC)c1ccc(OC)c2nc(-c3c(Cl)cc(COC)cc3OC)c(C)cc12.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine?
The InChIKey is HDXQYYYZPINBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN2O3/c1-7-27(8-2)19-9-10-20(29-5)24-17(19)11-15(3)23(26-24)22-18(25)12-16(14-28-4)13-21(22)30-6/h9-13H,7-8,14H2,1-6H3.
What are the key properties of 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine?
2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine has a molecular weight of 428.96 g/mol, XLogP of 5.87, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-(methoxymethyl)phenyl]-N,N-diethyl-8-methoxy-3-methylquinolin-5-amine is sourced from PubChem (CID 71449705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).