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

C23H19N5O3 — CID 134362033

IUPAC1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1ccnc2c(C#N)cccc12
InChIInChI=1S/C23H19N5O3/c1-14-26-22-18(23(29)30)11-16(27-7-9-31-10-8-27)12-20(22)28(14)19-5-6-25-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H,29,30)
InChIKeyRCQDANDFEKBFRD-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.29
Rot. Bonds3

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

1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid (PubChem CID 134362033) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
PubChem CID134362033
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC Name1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
SMILESCc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1ccnc2c(C#N)cccc12
InChIInChI=1S/C23H19N5O3/c1-14-26-22-18(23(29)30)11-16(27-7-9-31-10-8-27)12-20(22)28(14)19-5-6-25-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H,29,30)
InChIKeyRCQDANDFEKBFRD-UHFFFAOYSA-N
XLogP3.29
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
CID 134362089
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788
1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
CID 134362043

Frequently Asked Questions

What is the IUPAC name of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid (CID 134362033) is 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid is Cc1nc2c(C(=O)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-carboxylic acid?
The InChIKey is RCQDANDFEKBFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-14-26-22-18(23(29)30)11-16(27-7-9-31-10-8-27)12-20(22)28(14)19-5-6-25-21-15(13-24)3-2-4-17(19)21/h2-6,11-12H,7-10H2,1H3,(H,29,30).
What are the key properties of 1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid?
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid has a molecular weight of 413.44 g/mol, XLogP of 3.29, 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-carboxylic acid is sourced from PubChem (CID 134362033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).