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

C23H20N4O3 — CID 71626768

IUPAC[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C)c4ccccc43)cc12
InChIInChI=1S/C23H20N4O3/c1-15-17-13-16(7-8-22(17)30-25-15)29-21-9-10-24-14-18(21)23(28)27-12-11-26(2)19-5-3-4-6-20(19)27/h3-10,13-14H,11-12H2,1-2H3
InChIKeyZNQNXXAYRDMGMU-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.42
Rot. Bonds3

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

[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (PubChem CID 71626768) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
PubChem CID71626768
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
SMILESCc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C)c4ccccc43)cc12
InChIInChI=1S/C23H20N4O3/c1-15-17-13-16(7-8-22(17)30-25-15)29-21-9-10-24-14-18(21)23(28)27-12-11-26(2)19-5-3-4-6-20(19)27/h3-10,13-14H,11-12H2,1-2H3
InChIKeyZNQNXXAYRDMGMU-UHFFFAOYSA-N
XLogP4.42
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The IUPAC name of [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone (CID 71626768) is [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone.
What is the SMILES notation for [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The canonical SMILES for [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is Cc1noc2ccc(Oc3ccncc3C(=O)N3CCN(C)c4ccccc43)cc12.
What is the InChIKey of [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
The InChIKey is ZNQNXXAYRDMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-15-17-13-16(7-8-22(17)30-25-15)29-21-9-10-24-14-18(21)23(28)27-12-11-26(2)19-5-3-4-6-20(19)27/h3-10,13-14H,11-12H2,1-2H3.
What are the key properties of [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone?
[4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone has a molecular weight of 400.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1,2-benzoxazol-5-yl)oxy]-3-pyridinyl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone is sourced from PubChem (CID 71626768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).