(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone

C25H22N4O3 — CID 71626422

IUPAC(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone
SMILESCc1noc2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)ccc12
InChIInChI=1S/C25H22N4O3/c1-16-19-9-8-18(14-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3
InChIKeyKHTHVXWNAFSBLT-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.95
Rot. Bonds4

About (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone

(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone (PubChem CID 71626422) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone
PubChem CID71626422
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone
SMILESCc1noc2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)ccc12
InChIInChI=1S/C25H22N4O3/c1-16-19-9-8-18(14-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3
InChIKeyKHTHVXWNAFSBLT-UHFFFAOYSA-N
XLogP4.95
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone?
The IUPAC name of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone (CID 71626422) is (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone.
What is the SMILES notation for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone?
The canonical SMILES for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone is Cc1noc2cc(Oc3ccncc3C(=O)N3CCN(C4CC4)c4ccccc43)ccc12.
What is the InChIKey of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone?
The InChIKey is KHTHVXWNAFSBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-16-19-9-8-18(14-24(19)32-27-16)31-23-10-11-26-15-20(23)25(30)29-13-12-28(17-6-7-17)21-4-2-3-5-22(21)29/h2-5,8-11,14-15,17H,6-7,12-13H2,1H3.
What are the key properties of (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone?
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone has a molecular weight of 426.48 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[4-[(3-methyl-1,2-benzoxazol-6-yl)oxy]-3-pyridinyl]methanone is sourced from PubChem (CID 71626422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).