2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C24H19N5O2 — CID 71241978

IUPAC2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2[nH]1
InChIInChI=1S/C24H19N5O2/c1-14-28-19-7-6-15(10-21(19)29-14)16-11-20-17(4-2-8-26-20)23(12-16)31-13-22-18(24(25)30)5-3-9-27-22/h2-12H,13H2,1H3,(H2,25,30)(H,28,29)
InChIKeyZMMNMKOGZFFWSP-UHFFFAOYSA-N
MW409.45 g/mol
LogP4.16
Rot. Bonds5

About 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241978) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241978
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC Name2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2[nH]1
InChIInChI=1S/C24H19N5O2/c1-14-28-19-7-6-15(10-21(19)29-14)16-11-20-17(4-2-8-26-20)23(12-16)31-13-22-18(24(25)30)5-3-9-27-22/h2-12H,13H2,1H3,(H2,25,30)(H,28,29)
InChIKeyZMMNMKOGZFFWSP-UHFFFAOYSA-N
XLogP4.16
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241978) is 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cc1nc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc2[nH]1.
What is the InChIKey of 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is ZMMNMKOGZFFWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-14-28-19-7-6-15(10-21(19)29-14)16-11-20-17(4-2-8-26-20)23(12-16)31-13-22-18(24(25)30)5-3-9-27-22/h2-12H,13H2,1H3,(H2,25,30)(H,28,29).
What are the key properties of 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).