2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

C13H14ClN3O3 — CID 64617792

IUPAC2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C(CC1CNC1)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C13H14ClN3O3/c14-8-2-10-11(20-6-13(19)17-10)3-9(8)16-12(18)1-7-4-15-5-7/h2-3,7,15H,1,4-6H2,(H,16,18)(H,17,19)
InChIKeyIEGUYNPFUXMRQP-UHFFFAOYSA-N
MW295.73 g/mol
LogP1.22
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide

2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (PubChem CID 64617792) has the molecular formula C13H14ClN3O3 and a molecular weight of 295.73 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
PubChem CID64617792
Molecular FormulaC13H14ClN3O3
Molecular Weight295.73 g/mol
Exact Mass295.07
IUPAC Name2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
SMILESO=C(CC1CNC1)Nc1cc2c(cc1Cl)NC(=O)CO2
InChIInChI=1S/C13H14ClN3O3/c14-8-2-10-11(20-6-13(19)17-10)3-9(8)16-12(18)1-7-4-15-5-7/h2-3,7,15H,1,4-6H2,(H,16,18)(H,17,19)
InChIKeyIEGUYNPFUXMRQP-UHFFFAOYSA-N
XLogP1.22
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 43705147
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(methylamino)acetamide
CID 43705165
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-methoxyethylamino)acetamide
CID 79272383
N-[3-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 47029795
N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-piperidin-4-ylbutanamide
CID 119722257
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-2-ethylbutanamide
CID 79813771
(E)-4-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)amino]-4-oxobut-2-enoic acid
CID 60941243
2-bromo-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 107903711
(2S)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)pyrrolidine-2-carboxamide
CID 61179096
1-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-hexylurea
CID 47033887
2-amino-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)-3-methylbutanamide
CID 43705148
N-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-2-piperidin-3-ylacetamide
CID 62676310

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide (CID 64617792) is 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is O=C(CC1CNC1)Nc1cc2c(cc1Cl)NC(=O)CO2.
What is the InChIKey of 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
The InChIKey is IEGUYNPFUXMRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O3/c14-8-2-10-11(20-6-13(19)17-10)3-9(8)16-12(18)1-7-4-15-5-7/h2-3,7,15H,1,4-6H2,(H,16,18)(H,17,19).
What are the key properties of 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide?
2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide has a molecular weight of 295.73 g/mol, XLogP of 1.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)acetamide is sourced from PubChem (CID 64617792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).