N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C16H14N2O4 — CID 110701603

IUPACN-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-2-4-10(8-11)17-16(20)12-6-3-7-13-15(12)22-9-14(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyUUBSSPVMECHHRN-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.28
Rot. Bonds3

About N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 110701603) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID110701603
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC NameN-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3c2OCC(=O)N3)c1
InChIInChI=1S/C16H14N2O4/c1-21-11-5-2-4-10(8-11)17-16(20)12-6-3-7-13-15(12)22-9-14(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyUUBSSPVMECHHRN-UHFFFAOYSA-N
XLogP2.28
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701599
N-(3-bromophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701633
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
3-oxo-N-propyl-4H-1,4-benzoxazine-8-carboxamide
CID 110701487
N-(3-methoxyphenyl)-4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanamide
CID 110345004
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-8-carboxamide
CID 110701657
N-(2-cyanophenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701653
2-methoxy-N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)benzamide
CID 110729632
2-fluoro-N-(3-methoxyphenyl)benzamide
CID 2292975
2,3-dimethoxy-N-(3-methoxyphenyl)benzamide
CID 912443
N-(3-methylbutyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701561
(2S)-N-(3-methoxyphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 93065669

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 110701603) is N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is COc1cccc(NC(=O)c2cccc3c2OCC(=O)N3)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is UUBSSPVMECHHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-11-5-2-4-10(8-11)17-16(20)12-6-3-7-13-15(12)22-9-14(19)18-13/h2-8H,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 110701603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).