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

C23H21ClN4O3 — CID 134364259

IUPACmethyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C23H21ClN4O3/c1-14-26-22-18(23(29)30-2)11-16(27-6-8-31-9-7-27)12-20(22)28(14)17-10-15-4-3-5-19(24)21(15)25-13-17/h3-5,10-13H,6-9H2,1-2H3
InChIKeyNMNAOLXGRNITIZ-UHFFFAOYSA-N
MW436.90 g/mol
LogP4.16
Rot. Bonds3

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

methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (PubChem CID 134364259) has the molecular formula C23H21ClN4O3 and a molecular weight of 436.90 g/mol. Its IUPAC name is methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
PubChem CID134364259
Molecular FormulaC23H21ClN4O3
Molecular Weight436.90 g/mol
Exact Mass436.13
IUPAC Namemethyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1cnc2c(Cl)cccc2c1
InChIInChI=1S/C23H21ClN4O3/c1-14-26-22-18(23(29)30-2)11-16(27-6-8-31-9-7-27)12-20(22)28(14)17-10-15-4-3-5-19(24)21(15)25-13-17/h3-5,10-13H,6-9H2,1-2H3
InChIKeyNMNAOLXGRNITIZ-UHFFFAOYSA-N
XLogP4.16
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268
2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
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
N'-methanimidoyl-2-methyl-6-morpholin-4-yl-1-quinolin-3-ylbenzimidazole-4-carboximidamide
CID 142311459

Frequently Asked Questions

What is the IUPAC name of methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate (CID 134364259) is methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is COC(=O)c1cc(N2CCOCC2)cc2c1nc(C)n2-c1cnc2c(Cl)cccc2c1.
What is the InChIKey of methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
The InChIKey is NMNAOLXGRNITIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O3/c1-14-26-22-18(23(29)30-2)11-16(27-6-8-31-9-7-27)12-20(22)28(14)17-10-15-4-3-5-19(24)21(15)25-13-17/h3-5,10-13H,6-9H2,1-2H3.
What are the key properties of methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate?
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate has a molecular weight of 436.90 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate is sourced from PubChem (CID 134364259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).