2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid

C23H22N4O3 — CID 134361760

IUPAC2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1cccc2c(-n3c(C)nc4c(C(=O)O)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H22N4O3/c1-14-4-3-5-17-19(6-7-24-21(14)17)27-15(2)25-22-18(23(28)29)12-16(13-20(22)27)26-8-10-30-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,28,29)
InChIKeyUIQQLEVJYZAZAM-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid

2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid (PubChem CID 134361760) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
PubChem CID134361760
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1cccc2c(-n3c(C)nc4c(C(=O)O)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H22N4O3/c1-14-4-3-5-17-19(6-7-24-21(14)17)27-15(2)25-22-18(23(28)29)12-16(13-20(22)27)26-8-10-30-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,28,29)
InChIKeyUIQQLEVJYZAZAM-UHFFFAOYSA-N
XLogP3.73
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid with MolForge

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Related Compounds

1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
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
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
CID 134362089
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid (CID 134361760) is 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid is Cc1cccc2c(-n3c(C)nc4c(C(=O)O)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
The InChIKey is UIQQLEVJYZAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-14-4-3-5-17-19(6-7-24-21(14)17)27-15(2)25-22-18(23(28)29)12-16(13-20(22)27)26-8-10-30-11-9-26/h3-7,12-13H,8-11H2,1-2H3,(H,28,29).
What are the key properties of 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid has a molecular weight of 402.45 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 134361760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).