5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

C24H30N4O3 — CID 45270120

IUPAC5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(C)C)CC3)oc(=O)c12
InChIInChI=1S/C24H30N4O3/c1-5-17-13-18(30-4)14-20-21(17)24(29)31-23(26-20)19-7-6-8-25-22(19)28-11-9-27(10-12-28)15-16(2)3/h6-8,13-14,16H,5,9-12,15H2,1-4H3
InChIKeyZLWNPQHHXXNYGL-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.60
Rot. Bonds6

About 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one

5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (PubChem CID 45270120) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
PubChem CID45270120
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(C)C)CC3)oc(=O)c12
InChIInChI=1S/C24H30N4O3/c1-5-17-13-18(30-4)14-20-21(17)24(29)31-23(26-20)19-7-6-8-25-22(19)28-11-9-27(10-12-28)15-16(2)3/h6-8,13-14,16H,5,9-12,15H2,1-4H3
InChIKeyZLWNPQHHXXNYGL-UHFFFAOYSA-N
XLogP3.60
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one with MolForge

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Related Compounds

AX-9657
CID 25205741
5-methyl-2-(2-(4-methylpiperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 24999724
2-(2-((2-(dimethylamino)ethyl)(methyl)amino)pyridin-3-yl)-5-methyl-4H-benzo[d][1,3]oxazin-4-one
CID 25000364
(R)-1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 25205745
5-ethyl-2-(2-(4-methylpiperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 44517752
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-ethyl-7-methoxy-2-(2-(4-(2-morpholinoethyl)piperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45267494
5-cyclobutyl-7-methoxy-2-(2-(4-(1-methylpiperidin-4-yl)piperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45267536
3-(4-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperazin-1-yl)propanenitrile
CID 45268358
1-(3-(5-cyclopropyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperidine-4-carboxylic acid
CID 45268410
2-(4-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperazin-1-yl)acetic acid
CID 45268419
5-isopropyl-7-methoxy-2-(2-(4-methylpiperazin-1-yl)pyridin-3-yl)-4H-benzo[d][1,3]oxazin-4-one
CID 45269260

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (CID 45270120) is 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CC(C)C)CC3)oc(=O)c12.
What is the InChIKey of 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The InChIKey is ZLWNPQHHXXNYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-5-17-13-18(30-4)14-20-21(17)24(29)31-23(26-20)19-7-6-8-25-22(19)28-11-9-27(10-12-28)15-16(2)3/h6-8,13-14,16H,5,9-12,15H2,1-4H3.
What are the key properties of 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one has a molecular weight of 422.53 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-2-[2-[4-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 45270120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).