1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

C19H18N2O3 — CID 8900102

IUPAC1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21
InChIInChI=1S/C19H18N2O3/c1-13(22)21-12-18(24-17-9-5-4-8-16(17)21)19(23)20-11-10-14-6-2-3-7-15(14)20/h2-9,18H,10-12H2,1H3/t18-/m0/s1
InChIKeyZSVMVEOCUXLNKD-SFHVURJKSA-N
MW322.36 g/mol
LogP2.39
Rot. Bonds1

About 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (PubChem CID 8900102) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
PubChem CID8900102
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
SMILESCC(=O)N1C[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21
InChIInChI=1S/C19H18N2O3/c1-13(22)21-12-18(24-17-9-5-4-8-16(17)21)19(23)20-11-10-14-6-2-3-7-15(14)20/h2-9,18H,10-12H2,1H3/t18-/m0/s1
InChIKeyZSVMVEOCUXLNKD-SFHVURJKSA-N
XLogP2.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone with MolForge

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Related Compounds

2,3-dihydro-1,4-benzodioxin-3-yl(2,3-dihydroindol-1-yl)methanone
CID 2999350
1-(4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carbonyl)-2,3,4,7-tetrahydro-1,7-naphthyridin-8-one
CID 167786521
1-[2-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 18153003
(6-tert-butyl-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl)-(2,3-dihydroindol-1-yl)methanone
CID 43926291
1-[3-(2,3-dihydroindole-1-carbonyl)azetidin-1-yl]ethanone
CID 90511233
1-[(2R)-2-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 41023235
1-(2,3-dihydroindol-1-yl)-2-[(2S)-2-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 9157107
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
ethyl 4-acetyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 13425083
(2R,5S)-5-(2,3-dihydroindole-1-carbonyl)oxolane-2-carboxylic acid
CID 102944186
1-[(2R)-2-(4-pyrazin-2-ylpiperazine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 51930801
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 120782912

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone (CID 8900102) is 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is CC(=O)N1C[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21.
What is the InChIKey of 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
The InChIKey is ZSVMVEOCUXLNKD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(22)21-12-18(24-17-9-5-4-8-16(17)21)19(23)20-11-10-14-6-2-3-7-15(14)20/h2-9,18H,10-12H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone?
1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone has a molecular weight of 322.36 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,3-dihydroindole-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone is sourced from PubChem (CID 8900102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).