4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide

C19H17N3O4 — CID 127024982

IUPAC4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3oc(N4CCOCC4)nc(=O)c3c2)cc1
InChIInChI=1S/C19H17N3O4/c20-17(23)13-3-1-12(2-4-13)14-5-6-16-15(11-14)18(24)21-19(26-16)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H2,20,23)
InChIKeyRBCMWOPOETWDJF-UHFFFAOYSA-N
MW351.36 g/mol
LogP1.79
Rot. Bonds3

About 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide

4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide (PubChem CID 127024982) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide
PubChem CID127024982
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide
SMILESNC(=O)c1ccc(-c2ccc3oc(N4CCOCC4)nc(=O)c3c2)cc1
InChIInChI=1S/C19H17N3O4/c20-17(23)13-3-1-12(2-4-13)14-5-6-16-15(11-14)18(24)21-19(26-16)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H2,20,23)
InChIKeyRBCMWOPOETWDJF-UHFFFAOYSA-N
XLogP1.79
TPSA98.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide?
The IUPAC name of 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide (CID 127024982) is 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide?
The canonical SMILES for 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide is NC(=O)c1ccc(-c2ccc3oc(N4CCOCC4)nc(=O)c3c2)cc1.
What is the InChIKey of 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide?
The InChIKey is RBCMWOPOETWDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c20-17(23)13-3-1-12(2-4-13)14-5-6-16-15(11-14)18(24)21-19(26-16)22-7-9-25-10-8-22/h1-6,11H,7-10H2,(H2,20,23).
What are the key properties of 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide?
4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide has a molecular weight of 351.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-yl-4-oxo-1,3-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 127024982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).