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

C23H28N4O4 — CID 44627268

IUPAC5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCOC)CC3)oc(=O)c12
InChIInChI=1S/C23H28N4O4/c1-4-16-14-17(30-3)15-19-20(16)23(28)31-22(25-19)18-6-5-7-24-21(18)27-10-8-26(9-11-27)12-13-29-2/h5-7,14-15H,4,8-13H2,1-3H3
InChIKeyINVSWQCFIQGOMZ-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.59
Rot. Bonds7

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

5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (PubChem CID 44627268) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
PubChem CID44627268
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one
SMILESCCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCOC)CC3)oc(=O)c12
InChIInChI=1S/C23H28N4O4/c1-4-16-14-17(30-3)15-19-20(16)23(28)31-22(25-19)18-6-5-7-24-21(18)27-10-8-26(9-11-27)12-13-29-2/h5-7,14-15H,4,8-13H2,1-3H3
InChIKeyINVSWQCFIQGOMZ-UHFFFAOYSA-N
XLogP2.59
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

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
(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-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
(S)-1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxazin-2-yl)pyridin-2-yl)piperidine-3-carboxylic acid
CID 45269268
2-(2-(4-(cyclopropylmethyl)piperazin-1-yl)pyridin-3-yl)-5-ethyl-7-methoxy-4H-benzo[d][1,3]oxazin-4-one
CID 45269270

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The IUPAC name of 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one (CID 44627268) is 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one.
What is the SMILES notation for 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The canonical SMILES for 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCOC)CC3)oc(=O)c12.
What is the InChIKey of 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
The InChIKey is INVSWQCFIQGOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-4-16-14-17(30-3)15-19-20(16)23(28)31-22(25-19)18-6-5-7-24-21(18)27-10-8-26(9-11-27)12-13-29-2/h5-7,14-15H,4,8-13H2,1-3H3.
What are the key properties of 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one?
5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one has a molecular weight of 424.50 g/mol, XLogP of 2.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-methoxy-2-[2-[4-(2-methoxyethyl)piperazin-1-yl]-3-pyridinyl]-3,1-benzoxazin-4-one is sourced from PubChem (CID 44627268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).