4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

C29H29ClN2O2 — CID 126593770

IUPAC4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCOc1cccc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1Cl
InChIInChI=1S/C29H29ClN2O2/c1-19-17-25-28(23(11-12-31-25)24-5-4-6-26(33-3)29(24)30)20(2)27(19)22-9-7-21(8-10-22)18-32-13-15-34-16-14-32/h4-12,17H,13-16,18H2,1-3H3
InChIKeyLBDHDQAXPFWGMJ-UHFFFAOYSA-N
MW473.02 g/mol
LogP6.68
Rot. Bonds5

About 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine

4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (PubChem CID 126593770) has the molecular formula C29H29ClN2O2 and a molecular weight of 473.02 g/mol. Its IUPAC name is 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
PubChem CID126593770
Molecular FormulaC29H29ClN2O2
Molecular Weight473.02 g/mol
Exact Mass472.19
IUPAC Name4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
SMILESCOc1cccc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1Cl
InChIInChI=1S/C29H29ClN2O2/c1-19-17-25-28(23(11-12-31-25)24-5-4-6-26(33-3)29(24)30)20(2)27(19)22-9-7-21(8-10-22)18-32-13-15-34-16-14-32/h4-12,17H,13-16,18H2,1-3H3
InChIKeyLBDHDQAXPFWGMJ-UHFFFAOYSA-N
XLogP6.68
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.02
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine (CID 126593770) is 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is COc1cccc(-c2ccnc3cc(C)c(-c4ccc(CN5CCOCC5)cc4)c(C)c23)c1Cl.
What is the InChIKey of 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
The InChIKey is LBDHDQAXPFWGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClN2O2/c1-19-17-25-28(23(11-12-31-25)24-5-4-6-26(33-3)29(24)30)20(2)27(19)22-9-7-21(8-10-22)18-32-13-15-34-16-14-32/h4-12,17H,13-16,18H2,1-3H3.
What are the key properties of 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine?
4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine has a molecular weight of 473.02 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-chloro-3-methoxyphenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 126593770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).