1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

C22H21N5O2 — CID 134362140

IUPAC1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1cccc2nccc(-n3cnc4c(C(N)=O)cc(N5CCOCC5)cc43)c12
InChIInChI=1S/C22H21N5O2/c1-14-3-2-4-17-20(14)18(5-6-24-17)27-13-25-21-16(22(23)28)11-15(12-19(21)27)26-7-9-29-10-8-26/h2-6,11-13H,7-10H2,1H3,(H2,23,28)
InChIKeyRKNGKQJLPCVYMY-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.82
Rot. Bonds3

About 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134362140) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134362140
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1cccc2nccc(-n3cnc4c(C(N)=O)cc(N5CCOCC5)cc43)c12
InChIInChI=1S/C22H21N5O2/c1-14-3-2-4-17-20(14)18(5-6-24-17)27-13-25-21-16(22(23)28)11-15(12-19(21)27)26-7-9-29-10-8-26/h2-6,11-13H,7-10H2,1H3,(H2,23,28)
InChIKeyRKNGKQJLPCVYMY-UHFFFAOYSA-N
XLogP2.82
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
4-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371818
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708
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-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
CID 134362043
4-[3-(5,8-difluoroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371746
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134362140) is 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1cccc2nccc(-n3cnc4c(C(N)=O)cc(N5CCOCC5)cc43)c12.
What is the InChIKey of 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is RKNGKQJLPCVYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-14-3-2-4-17-20(14)18(5-6-24-17)27-13-25-21-16(22(23)28)11-15(12-19(21)27)26-7-9-29-10-8-26/h2-6,11-13H,7-10H2,1H3,(H2,23,28).
What are the key properties of 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134362140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).