1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

C24H24FN5O2 — CID 134362081

IUPAC1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(F)cccc2c(-n2c(C)nc3c(C(N)=O)cc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C24H24FN5O2/c1-13-14(2)27-21-17(5-4-6-19(21)25)23(13)30-15(3)28-22-18(24(26)31)11-16(12-20(22)30)29-7-9-32-10-8-29/h4-6,11-12H,7-10H2,1-3H3,(H2,26,31)
InChIKeyWHSQQXIJQNSBHV-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.57
Rot. Bonds3

About 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134362081) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134362081
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(F)cccc2c(-n2c(C)nc3c(C(N)=O)cc(N4CCOCC4)cc32)c1C
InChIInChI=1S/C24H24FN5O2/c1-13-14(2)27-21-17(5-4-6-19(21)25)23(13)30-15(3)28-22-18(24(26)31)11-16(12-20(22)30)29-7-9-32-10-8-29/h4-6,11-12H,7-10H2,1-3H3,(H2,26,31)
InChIKeyWHSQQXIJQNSBHV-UHFFFAOYSA-N
XLogP3.57
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708

Frequently Asked Questions

What is the IUPAC name of 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134362081) is 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1nc2c(F)cccc2c(-n2c(C)nc3c(C(N)=O)cc(N4CCOCC4)cc32)c1C.
What is the InChIKey of 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is WHSQQXIJQNSBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-13-14(2)27-21-17(5-4-6-19(21)25)23(13)30-15(3)28-22-18(24(26)31)11-16(12-20(22)30)29-7-9-32-10-8-29/h4-6,11-12H,7-10H2,1-3H3,(H2,26,31).
What are the key properties of 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134362081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).