methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate

C24H23ClN4O3 — CID 134361831

IUPACmethyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1c(C)cnc2c(Cl)cccc12
InChIInChI=1S/C24H23ClN4O3/c1-14-13-26-21-17(5-4-6-19(21)25)23(14)29-15(2)27-22-18(24(30)31-3)11-16(12-20(22)29)28-7-9-32-10-8-28/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMUBLQBXQSJJRTK-UHFFFAOYSA-N
MW450.93 g/mol
LogP4.47
Rot. Bonds3

About methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate

methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (PubChem CID 134361831) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
PubChem CID134361831
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Namemethyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1c(C)cnc2c(Cl)cccc12
InChIInChI=1S/C24H23ClN4O3/c1-14-13-26-21-17(5-4-6-19(21)25)23(14)29-15(2)27-22-18(24(30)31-3)11-16(12-20(22)29)28-7-9-32-10-8-28/h4-6,11-13H,7-10H2,1-3H3
InChIKeyMUBLQBXQSJJRTK-UHFFFAOYSA-N
XLogP4.47
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate with MolForge

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Related Compounds

methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-N'-methanimidoyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311504
methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
CID 134361744

Frequently Asked Questions

What is the IUPAC name of methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (CID 134361831) is methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is COC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1c(C)cnc2c(Cl)cccc12.
What is the InChIKey of methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The InChIKey is MUBLQBXQSJJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-14-13-26-21-17(5-4-6-19(21)25)23(14)29-15(2)27-22-18(24(30)31-3)11-16(12-20(22)29)28-7-9-32-10-8-28/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate has a molecular weight of 450.93 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is sourced from PubChem (CID 134361831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).