2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide

C19H17N3O3 — CID 110742135

IUPAC2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
SMILESCC1Oc2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2NC1=O
InChIInChI=1S/C19H17N3O3/c1-11-19(24)22-18-15(7-4-8-16(18)25-11)21-17(23)9-12-10-20-14-6-3-2-5-13(12)14/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyFEILDRUBANIJGQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds3

About 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide

2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide (PubChem CID 110742135) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
PubChem CID110742135
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide
SMILESCC1Oc2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2NC1=O
InChIInChI=1S/C19H17N3O3/c1-11-19(24)22-18-15(7-4-8-16(18)25-11)21-17(23)9-12-10-20-14-6-3-2-5-13(12)14/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyFEILDRUBANIJGQ-UHFFFAOYSA-N
XLogP3.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-N-(2-oxo-1H-pyridin-3-yl)acetamide
CID 51101093
2-(1H-indol-3-yl)-N-(1H-indol-4-yl)acetamide
CID 110745009
N-[2-(hydroxymethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 60653710
3-(3-methoxyphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)propanamide
CID 110713428
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110683064
4-tert-butyl-N-[2-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]benzamide
CID 31974149
N-(2,6-difluoro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 103097670
N-(2-chloro-3-pyridinyl)-2-(1H-indol-3-yl)acetamide
CID 10869874
2-(1H-indol-3-yl)-N-[2-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
CID 71804974
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-(3-methyl-4-pyridinyl)acetamide
CID 63671729
2-(1H-indol-3-yl)-N-[2-(6-oxo-3H-pyridazin-3-yl)phenyl]acetamide
CID 167999942

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide (CID 110742135) is 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide is CC1Oc2cccc(NC(=O)Cc3c[nH]c4ccccc34)c2NC1=O.
What is the InChIKey of 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide?
The InChIKey is FEILDRUBANIJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-19(24)22-18-15(7-4-8-16(18)25-11)21-17(23)9-12-10-20-14-6-3-2-5-13(12)14/h2-8,10-11,20H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide?
2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-5-yl)acetamide is sourced from PubChem (CID 110742135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).