2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide

C18H15N3O3 — CID 24515939

IUPAC2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H15N3O3/c1-10-17(12-4-2-3-5-13(12)19-10)18(23)20-11-6-7-15-14(8-11)21-16(22)9-24-15/h2-8,19H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyBPGUJURMCBIKAH-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.06
Rot. Bonds2

About 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide

2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide (PubChem CID 24515939) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
PubChem CID24515939
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC Name2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C18H15N3O3/c1-10-17(12-4-2-3-5-13(12)19-10)18(23)20-11-6-7-15-14(8-11)21-16(22)9-24-15/h2-8,19H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyBPGUJURMCBIKAH-UHFFFAOYSA-N
XLogP3.06
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
ethyl 2,4-dimethyl-5-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 30263165
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
3-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 31020779
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-propan-2-ylquinoline-4-carboxamide
CID 51207763
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
2-methyl-N-[4-(phenylcarbamoylamino)phenyl]-1H-indole-3-carboxamide
CID 24676897

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide (CID 24515939) is 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide?
The InChIKey is BPGUJURMCBIKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-17(12-4-2-3-5-13(12)19-10)18(23)20-11-6-7-15-14(8-11)21-16(22)9-24-15/h2-8,19H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide?
2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 24515939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).