(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone

C26H23N3O3 — CID 71626699

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone
SMILESCc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3
InChIKeyXSQWZZWJHWYIQW-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.56
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone (PubChem CID 71626699) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone
PubChem CID71626699
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone
SMILESCc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12
InChIInChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3
InChIKeyXSQWZZWJHWYIQW-UHFFFAOYSA-N
XLogP5.56
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-Cyclopropyl-3,4-dihydro-1(2H)-quinoxalinyl)[4-(2,5-dimethylphenoxy)-3-pyridinyl]methanone
CID 71450251
[4-[(6-Chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 90644451
Methyl 5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 156705093
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-(2,4,5-trimethylphenoxy)-3-pyridinyl]methanone
CID 71462786
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-1-yloxy-3-pyridinyl)methanone
CID 71626489
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-(4-naphthalen-2-yloxy-3-pyridinyl)methanone
CID 71626490
[4-(1-Benzofuran-5-yloxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626492
[4-(1-Benzofuran-6-yloxy)-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 71626556
Ethyl 6-chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylate
CID 77845059
6-Chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-carboxylic acid
CID 77845060
3-[6-Chloro-5-[[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-4-pyridinyl]oxy]-1-benzofuran-3-yl]propanoic acid
CID 77845284
[4-[(2-Bromo-6-chloro-3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 77846087

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone (CID 71626699) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone is Cc1coc2ccc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)cc12.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone?
The InChIKey is XSQWZZWJHWYIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-17-16-31-24-9-8-19(14-20(17)24)32-25-10-11-27-15-21(25)26(30)29-13-12-28(18-6-7-18)22-4-2-3-5-23(22)29/h2-5,8-11,14-16,18H,6-7,12-13H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone has a molecular weight of 425.49 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1-benzofuran-5-yl)oxy]-3-pyridinyl]methanone is sourced from PubChem (CID 71626699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).