methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate

C25H24N4O3 — CID 134361744

IUPACmethyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C1CC1)n2-c1ccnc2ccccc12
InChIInChI=1S/C25H24N4O3/c1-31-25(30)19-14-17(28-10-12-32-13-11-28)15-22-23(19)27-24(16-6-7-16)29(22)21-8-9-26-20-5-3-2-4-18(20)21/h2-5,8-9,14-16H,6-7,10-13H2,1H3
InChIKeyYNIOXKZRTZTZNB-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.07
Rot. Bonds4

About methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate

methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate (PubChem CID 134361744) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
PubChem CID134361744
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Namemethyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate
SMILESCOC(=O)c1cc(N2CCOCC2)cc2c1nc(C1CC1)n2-c1ccnc2ccccc12
InChIInChI=1S/C25H24N4O3/c1-31-25(30)19-14-17(28-10-12-32-13-11-28)15-22-23(19)27-24(16-6-7-16)29(22)21-8-9-26-20-5-3-2-4-18(20)21/h2-5,8-9,14-16H,6-7,10-13H2,1H3
InChIKeyYNIOXKZRTZTZNB-UHFFFAOYSA-N
XLogP4.07
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate?
The IUPAC name of methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate (CID 134361744) is methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate?
The canonical SMILES for methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate is COC(=O)c1cc(N2CCOCC2)cc2c1nc(C1CC1)n2-c1ccnc2ccccc12.
What is the InChIKey of methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate?
The InChIKey is YNIOXKZRTZTZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-31-25(30)19-14-17(28-10-12-32-13-11-28)15-22-23(19)27-24(16-6-7-16)29(22)21-8-9-26-20-5-3-2-4-18(20)21/h2-5,8-9,14-16H,6-7,10-13H2,1H3.
What are the key properties of methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate?
methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate has a molecular weight of 428.49 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-6-morpholin-4-yl-1-quinolin-4-ylbenzimidazole-4-carboxylate is sourced from PubChem (CID 134361744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).