1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

C23H21Cl2N5O2 — CID 134361785

IUPAC1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1c(Cl)cnc2c(Cl)cccc12
InChIInChI=1S/C23H21Cl2N5O2/c1-2-19-28-21-15(23(26)31)10-13(29-6-8-32-9-7-29)11-18(21)30(19)22-14-4-3-5-16(24)20(14)27-12-17(22)25/h3-5,10-12H,2,6-9H2,1H3,(H2,26,31)
InChIKeyQJWOOEHIPJKVQK-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.38
Rot. Bonds4

About 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134361785) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134361785
Molecular FormulaC23H21Cl2N5O2
Molecular Weight470.36 g/mol
Exact Mass469.11
IUPAC Name1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1c(Cl)cnc2c(Cl)cccc12
InChIInChI=1S/C23H21Cl2N5O2/c1-2-19-28-21-15(23(26)31)10-13(29-6-8-32-9-7-29)11-18(21)30(19)22-14-4-3-5-16(24)20(14)27-12-17(22)25/h3-5,10-12H,2,6-9H2,1H3,(H2,26,31)
InChIKeyQJWOOEHIPJKVQK-UHFFFAOYSA-N
XLogP4.38
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-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-(3,8-dichloroquinolin-4-yl)-2-ethyl-N'-methanimidoyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311504
methyl 1-(8-chloro-3-methylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134361831
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
CID 134362043
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371938
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371864
1-isoquinolin-3-yl-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364221
methyl 1-(8-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134364259
1-(7-chloroquinolin-3-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134364268

Frequently Asked Questions

What is the IUPAC name of 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134361785) is 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is CCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1c(Cl)cnc2c(Cl)cccc12.
What is the InChIKey of 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is QJWOOEHIPJKVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-2-19-28-21-15(23(26)31)10-13(29-6-8-32-9-7-29)11-18(21)30(19)22-14-4-3-5-16(24)20(14)27-12-17(22)25/h3-5,10-12H,2,6-9H2,1H3,(H2,26,31).
What are the key properties of 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134361785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).