1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

C25H24ClN5O2 — CID 134362194

IUPAC1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cc(N4CCOCC4)cc3n2-c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H24ClN5O2/c1-25(6-7-25)24-29-22-17(23(27)32)13-15(30-9-11-33-12-10-30)14-20(22)31(24)19-5-8-28-21-16(19)3-2-4-18(21)26/h2-5,8,13-14H,6-7,9-12H2,1H3,(H2,27,32)
InChIKeyUZCUVMMOKRGAKD-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.21
Rot. Bonds4

About 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide

1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (PubChem CID 134362194) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
PubChem CID134362194
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
SMILESCC1(c2nc3c(C(N)=O)cc(N4CCOCC4)cc3n2-c2ccnc3c(Cl)cccc23)CC1
InChIInChI=1S/C25H24ClN5O2/c1-25(6-7-25)24-29-22-17(23(27)32)13-15(30-9-11-33-12-10-30)14-20(22)31(24)19-5-8-28-21-16(19)3-2-4-18(21)26/h2-5,8,13-14H,6-7,9-12H2,1H3,(H2,27,32)
InChIKeyUZCUVMMOKRGAKD-UHFFFAOYSA-N
XLogP4.21
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-oxazol-5-yl)benzimidazole-4-carboxamide
CID 134362043
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361822
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788
N-(1-amino-2-methylpropylidene)-1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311553
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
1-(8-cyanoquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362033
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371864

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide (CID 134362194) is 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is CC1(c2nc3c(C(N)=O)cc(N4CCOCC4)cc3n2-c2ccnc3c(Cl)cccc23)CC1.
What is the InChIKey of 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is UZCUVMMOKRGAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-25(6-7-25)24-29-22-17(23(27)32)13-15(30-9-11-33-12-10-30)14-20(22)31(24)19-5-8-28-21-16(19)3-2-4-18(21)26/h2-5,8,13-14H,6-7,9-12H2,1H3,(H2,27,32).
What are the key properties of 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide?
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 134362194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).