5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one

C20H22N4O2 — CID 44517752

IUPAC5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12
InChIInChI=1S/C20H22N4O2/c1-3-14-6-4-8-16-17(14)20(25)26-19(22-16)15-7-5-9-21-18(15)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3
InChIKeySRKNVQGMLSKJLN-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.56
Rot. Bonds3

About 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one

5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one (PubChem CID 44517752) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one
PubChem CID44517752
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12
InChIInChI=1S/C20H22N4O2/c1-3-14-6-4-8-16-17(14)20(25)26-19(22-16)15-7-5-9-21-18(15)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3
InChIKeySRKNVQGMLSKJLN-UHFFFAOYSA-N
XLogP2.56
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

FG 5893
CID 127728
Methyl 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylate
CID 1483244
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Allyl 6-(4-phenylpiperazino)nicotinate
CID 3609289
3-[4-(pyridin-2-yl)piperazin-1-yl]-2-benzofuran-1(3H)-one
CID 662516
3-[(3-Benzyl-1,2,3,4-tetrahydro-2,4-dioxopyrido[2,3-d]pyrimidin)-1-yl]benzoic acid methyl ester
CID 9930122
Ethyl 5-chloro-6-{4-[(1-naphthylamino)carbonyl]piperazin-1-yl}nicotinate
CID 24751997
5-methyl-2-(2-(4-methylpiperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 24999724
2-(2-(1H-imidazol-1-yl)pyridin-3-yl)-5-methyl-4H-benzo[d][1,3]oxazin-4-one
CID 24999726
2-(2-((2-(dimethylamino)ethyl)(methyl)amino)pyridin-3-yl)-5-methyl-4H-benzo[d][1,3]oxazin-4-one
CID 25000364
5-ethyl-7-methoxy-2-(2-(4-(2-methoxyethyl)piperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 44627268
5-methyl-2-(pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45267507

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one (CID 44517752) is 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one is CCc1cccc2nc(-c3cccnc3N3CCN(C)CC3)oc(=O)c12.
What is the InChIKey of 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one?
The InChIKey is SRKNVQGMLSKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-3-14-6-4-8-16-17(14)20(25)26-19(22-16)15-7-5-9-21-18(15)24-12-10-23(2)11-13-24/h4-9H,3,10-13H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one?
5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 44517752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).