methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate

C30H29ClN2O3 — CID 126594106

IUPACmethyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)cc2n1
InChIInChI=1S/C30H29ClN2O3/c1-19-16-26-29(24(17-27(32-26)30(34)35-3)23-6-4-5-7-25(23)31)20(2)28(19)22-10-8-21(9-11-22)18-33-12-14-36-15-13-33/h4-11,16-17H,12-15,18H2,1-3H3
InChIKeyXOGPDFXPUHEMSE-UHFFFAOYSA-N
MW501.03 g/mol
LogP6.46
Rot. Bonds5

About methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate

methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate (PubChem CID 126594106) has the molecular formula C30H29ClN2O3 and a molecular weight of 501.03 g/mol. Its IUPAC name is methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
PubChem CID126594106
Molecular FormulaC30H29ClN2O3
Molecular Weight501.03 g/mol
Exact Mass500.19
IUPAC Namemethyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)cc2n1
InChIInChI=1S/C30H29ClN2O3/c1-19-16-26-29(24(17-27(32-26)30(34)35-3)23-6-4-5-7-25(23)31)20(2)28(19)22-10-8-21(9-11-22)18-33-12-14-36-15-13-33/h4-11,16-17H,12-15,18H2,1-3H3
InChIKeyXOGPDFXPUHEMSE-UHFFFAOYSA-N
XLogP6.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate with MolForge

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Related Compounds

4-[[4-[4-(2-chlorophenyl)-5,7-dimethylquinolin-6-yl]phenyl]methyl]morpholine
CID 126594091
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-[[1-(2-chlorophenyl)-4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]methyl]morpholine
CID 71153436
methyl 2-methyl-6-[4-[2-[4-(morpholin-4-ylmethyl)phenyl]ethynyl]phenyl]pyridine-4-carboxylate
CID 68758496
methyl 2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]-3-(oxan-4-ylamino)benzoate
CID 70872605
4-(3-aminophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]chromen-2-one;dihydrochloride
CID 90665119
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
methyl 2-methoxy-4-(morpholin-4-ylmethyl)benzoate
CID 66876950
4-chloro-3-[4-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39234276
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 78823470
2-(2-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 86978792
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 24518314

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate (CID 126594106) is methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate is COC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccc(CN4CCOCC4)cc3)c(C)cc2n1.
What is the InChIKey of methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate?
The InChIKey is XOGPDFXPUHEMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN2O3/c1-19-16-26-29(24(17-27(32-26)30(34)35-3)23-6-4-5-7-25(23)31)20(2)28(19)22-10-8-21(9-11-22)18-33-12-14-36-15-13-33/h4-11,16-17H,12-15,18H2,1-3H3.
What are the key properties of methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate?
methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate has a molecular weight of 501.03 g/mol, XLogP of 6.46, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chlorophenyl)-5,7-dimethyl-6-[4-(morpholin-4-ylmethyl)phenyl]quinoline-2-carboxylate is sourced from PubChem (CID 126594106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).