(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone

C19H22FN5O2 — CID 138699349

IUPAC(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cncc(N2CCN(C(=O)N3c4ccc(F)cc4OCC3C)CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-13-10-21-11-18(22-13)23-5-7-24(8-6-23)19(26)25-14(2)12-27-17-9-15(20)3-4-16(17)25/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyKAQUUVWRBJVIGX-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.45
Rot. Bonds1

About (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone

(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 138699349) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID138699349
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cncc(N2CCN(C(=O)N3c4ccc(F)cc4OCC3C)CC2)n1
InChIInChI=1S/C19H22FN5O2/c1-13-10-21-11-18(22-13)23-5-7-24(8-6-23)19(26)25-14(2)12-27-17-9-15(20)3-4-16(17)25/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyKAQUUVWRBJVIGX-UHFFFAOYSA-N
XLogP2.45
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone (CID 138699349) is (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone is Cc1cncc(N2CCN(C(=O)N3c4ccc(F)cc4OCC3C)CC2)n1.
What is the InChIKey of (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is KAQUUVWRBJVIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13-10-21-11-18(22-13)23-5-7-24(8-6-23)19(26)25-14(2)12-27-17-9-15(20)3-4-16(17)25/h3-4,9-11,14H,5-8,12H2,1-2H3.
What are the key properties of (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone?
(7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 371.42 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 138699349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).