N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide

C17H13N3O3 — CID 59802843

IUPACN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2N1
InChIInChI=1S/C17H13N3O3/c21-16-9-23-15-8-11(5-6-13(15)20-16)18-17(22)14-7-10-3-1-2-4-12(10)19-14/h1-8,19H,9H2,(H,18,22)(H,20,21)
InChIKeyKMLOLIBDCQHWCI-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.75
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide (PubChem CID 59802843) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
PubChem CID59802843
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2N1
InChIInChI=1S/C17H13N3O3/c21-16-9-23-15-8-11(5-6-13(15)20-16)18-17(22)14-7-10-3-1-2-4-12(10)19-14/h1-8,19H,9H2,(H,18,22)(H,20,21)
InChIKeyKMLOLIBDCQHWCI-UHFFFAOYSA-N
XLogP2.75
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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)pyridine-2-carboxamide
CID 56587899
N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-1H-indole-2-carboxamide
CID 42280319
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1H-indole-2-carboxamide
CID 42982780
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
1-(2-methyl-1-phenylpropyl)-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893280
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
1-[1-(1-benzofuran-2-yl)ethyl]-3-(3-oxo-4H-1,4-benzoxazin-7-yl)urea
CID 78893273

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide (CID 59802843) is N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide is O=C1COc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide?
The InChIKey is KMLOLIBDCQHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-16-9-23-15-8-11(5-6-13(15)20-16)18-17(22)14-7-10-3-1-2-4-12(10)19-14/h1-8,19H,9H2,(H,18,22)(H,20,21).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 59802843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).