1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

C23H20N6O2 — CID 134361822

IUPAC1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(C#N)cccc12
InChIInChI=1S/C23H20N6O2/c1-14-27-22-18(23(25)30)11-16(28-7-9-31-10-8-28)12-20(22)29(14)19-5-6-26-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H2,25,30)
InChIKeyPQTYRSHKZYHRFE-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.69
Rot. Bonds3

About 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134361822) has the molecular formula C23H20N6O2 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134361822
Molecular FormulaC23H20N6O2
Molecular Weight412.45 g/mol
Exact Mass412.16
IUPAC Name1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(C#N)cccc12
InChIInChI=1S/C23H20N6O2/c1-14-27-22-18(23(25)30)11-16(28-7-9-31-10-8-28)12-20(22)29(14)19-5-6-26-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H2,25,30)
InChIKeyPQTYRSHKZYHRFE-UHFFFAOYSA-N
XLogP2.69
TPSA110.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide with MolForge

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Related Compounds

1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
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
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-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
2-methyl-6-morpholin-4-yl-1-[2-(1,3-thiazol-4-yl)quinolin-4-yl]benzimidazole-4-carboxamide
CID 134361886
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134361822) is 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is Cc1nc2c(C(N)=O)cc(N3CCOCC3)cc2n1-c1ccnc2c(C#N)cccc12.
What is the InChIKey of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is PQTYRSHKZYHRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2/c1-14-27-22-18(23(25)30)11-16(28-7-9-31-10-8-28)12-20(22)29(14)19-5-6-26-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H2,25,30).
What are the key properties of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134361822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).