2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

C23H23N5O2 — CID 134361790

IUPAC2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1cnc2ccccc2c1-n1c(C)nc2c(C(N)=O)cc(N3CCOCC3)cc21
InChIInChI=1S/C23H23N5O2/c1-14-13-25-19-6-4-3-5-17(19)22(14)28-15(2)26-21-18(23(24)29)11-16(12-20(21)28)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,29)
InChIKeyDDXYRUHOJOIFBI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.13
Rot. Bonds3

About 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134361790) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134361790
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1cnc2ccccc2c1-n1c(C)nc2c(C(N)=O)cc(N3CCOCC3)cc21
InChIInChI=1S/C23H23N5O2/c1-14-13-25-19-6-4-3-5-17(19)22(14)28-15(2)26-21-18(23(24)29)11-16(12-20(21)28)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,29)
InChIKeyDDXYRUHOJOIFBI-UHFFFAOYSA-N
XLogP3.13
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886
2-methyl-6-morpholin-4-yl-1-naphthalen-2-ylbenzimidazole-4-carboxamide
CID 134364273
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
N'-methanimidoyl-2-methyl-6-morpholin-4-yl-1-quinolin-3-ylbenzimidazole-4-carboximidamide
CID 142311459
1-(5-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362140
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134361790) is 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1cnc2ccccc2c1-n1c(C)nc2c(C(N)=O)cc(N3CCOCC3)cc21.
What is the InChIKey of 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is DDXYRUHOJOIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-14-13-25-19-6-4-3-5-17(19)22(14)28-15(2)26-21-18(23(24)29)11-16(12-20(21)28)27-7-9-30-10-8-27/h3-6,11-13H,7-10H2,1-2H3,(H2,24,29).
What are the key properties of 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134361790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).