1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid

C24H22F2N4O3 — CID 134362089

IUPAC1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C24H22F2N4O3/c1-2-3-21-28-23-17(24(31)32)12-15(29-6-8-33-9-7-29)13-20(23)30(21)19-4-5-27-22-16(19)10-14(25)11-18(22)26/h4-5,10-13H,2-3,6-9H2,1H3,(H,31,32)
InChIKeyBHBYUDDNTAJXFA-UHFFFAOYSA-N
MW452.46 g/mol
LogP4.34
Rot. Bonds5

About 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid

1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 134362089) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
PubChem CID134362089
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC Name1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cc(F)cc12
InChIInChI=1S/C24H22F2N4O3/c1-2-3-21-28-23-17(24(31)32)12-15(29-6-8-33-9-7-29)13-20(23)30(21)19-4-5-27-22-16(19)10-14(25)11-18(22)26/h4-5,10-13H,2-3,6-9H2,1H3,(H,31,32)
InChIKeyBHBYUDDNTAJXFA-UHFFFAOYSA-N
XLogP4.34
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371926
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
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
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-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
CID 134361744

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid (CID 134362089) is 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2c(C(=O)O)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cc(F)cc12.
What is the InChIKey of 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is BHBYUDDNTAJXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-2-3-21-28-23-17(24(31)32)12-15(29-6-8-33-9-7-29)13-20(23)30(21)19-4-5-27-22-16(19)10-14(25)11-18(22)26/h4-5,10-13H,2-3,6-9H2,1H3,(H,31,32).
What are the key properties of 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid?
1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid has a molecular weight of 452.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 134362089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).