N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide

C18H14N4O3 — CID 59802654

IUPACN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc4nccnc4c3)cc2N1
InChIInChI=1S/C18H14N4O3/c23-17-10-25-16-4-1-11(7-15(16)22-17)9-21-18(24)12-2-3-13-14(8-12)20-6-5-19-13/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyNWCVSEHSCHPUPS-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.89
Rot. Bonds3

About N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide

N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide (PubChem CID 59802654) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
PubChem CID59802654
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
SMILESO=C1COc2ccc(CNC(=O)c3ccc4nccnc4c3)cc2N1
InChIInChI=1S/C18H14N4O3/c23-17-10-25-16-4-1-11(7-15(16)22-17)9-21-18(24)12-2-3-13-14(8-12)20-6-5-19-13/h1-8H,9-10H2,(H,21,24)(H,22,23)
InChIKeyNWCVSEHSCHPUPS-UHFFFAOYSA-N
XLogP1.89
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
N-(1,3-benzodioxol-5-ylmethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 847892
N-[(4-fluorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53013560
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3-(1H-pyrazol-5-yl)benzamide
CID 59802661
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-indole-5-carboxamide
CID 59802724
6-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123341
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-2-pyridin-4-ylacetamide
CID 59802771
N-[(3-oxo-4H-1,4-benzoxazin-7-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110746360
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
4-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyridine-3-carboxamide
CID 59802783
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]thieno[3,2-d]pyrimidine-4-carboxamide
CID 59802537
ethane;6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide
CID 143679618

Frequently Asked Questions

What is the IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide (CID 59802654) is N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide is O=C1COc2ccc(CNC(=O)c3ccc4nccnc4c3)cc2N1.
What is the InChIKey of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide?
The InChIKey is NWCVSEHSCHPUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c23-17-10-25-16-4-1-11(7-15(16)22-17)9-21-18(24)12-2-3-13-14(8-12)20-6-5-19-13/h1-8H,9-10H2,(H,21,24)(H,22,23).
What are the key properties of N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide?
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 59802654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).