N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide

C18H13N3O3 — CID 59802648

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccc4cccnc34)ccc2N1
InChIInChI=1S/C18H13N3O3/c22-16-10-24-15-9-12(6-7-14(15)21-16)20-18(23)13-5-1-3-11-4-2-8-19-17(11)13/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyCVZRBCOXLLGBKP-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.82
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide (PubChem CID 59802648) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
PubChem CID59802648
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccc4cccnc34)ccc2N1
InChIInChI=1S/C18H13N3O3/c22-16-10-24-15-9-12(6-7-14(15)21-16)20-18(23)13-5-1-3-11-4-2-8-19-17(11)13/h1-9H,10H2,(H,20,23)(H,21,22)
InChIKeyCVZRBCOXLLGBKP-UHFFFAOYSA-N
XLogP2.82
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
8-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 46979539
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
CID 59802793
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
N-(3-methylphenyl)quinoline-8-carboxamide
CID 30267656
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 110701635
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide (CID 59802648) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide is O=C1COc2cc(NC(=O)c3cccc4cccnc34)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide?
The InChIKey is CVZRBCOXLLGBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-16-10-24-15-9-12(6-7-14(15)21-16)20-18(23)13-5-1-3-11-4-2-8-19-17(11)13/h1-9H,10H2,(H,20,23)(H,21,22).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide is sourced from PubChem (CID 59802648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).