phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate

C24H18N2O4 — CID 141419168

IUPACphenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate
SMILESCC(=O)c1ccc2n(c1=O)[C@H](C(=O)Oc1ccccc1)Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C24H18N2O4/c1-14(27)16-11-12-20-22-18(17-9-5-6-10-19(17)25-22)13-21(26(20)23(16)28)24(29)30-15-7-3-2-4-8-15/h2-12,21,25H,13H2,1H3/t21-/m0/s1
InChIKeyWNOQEXQVAYYGFK-NRFANRHFSA-N
MW398.42 g/mol
LogP3.90
Rot. Bonds3

About phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate

phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate (PubChem CID 141419168) has the molecular formula C24H18N2O4 and a molecular weight of 398.42 g/mol. Its IUPAC name is phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate.

Molecular Properties

Compound Namephenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate
PubChem CID141419168
Molecular FormulaC24H18N2O4
Molecular Weight398.42 g/mol
Exact Mass398.13
IUPAC Namephenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate
SMILESCC(=O)c1ccc2n(c1=O)[C@H](C(=O)Oc1ccccc1)Cc1c-2[nH]c2ccccc12
InChIInChI=1S/C24H18N2O4/c1-14(27)16-11-12-20-22-18(17-9-5-6-10-19(17)25-22)13-21(26(20)23(16)28)24(29)30-15-7-3-2-4-8-15/h2-12,21,25H,13H2,1H3/t21-/m0/s1
InChIKeyWNOQEXQVAYYGFK-NRFANRHFSA-N
XLogP3.90
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

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methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
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methyl 2-acetyl-1-naphthalen-1-yl-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
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1,2,3,6-tetrahydroazepino[4,5-b]indole-2,5-dicarboxylic acid
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ethyl 2-(2-ethoxy-2-oxoethyl)-1-oxo-2,3,4,9-tetrahydrocarbazole-3-carboxylate
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(3S)-2-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate?
The IUPAC name of phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate (CID 141419168) is phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate.
What is the SMILES notation for phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate?
The canonical SMILES for phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate is CC(=O)c1ccc2n(c1=O)[C@H](C(=O)Oc1ccccc1)Cc1c-2[nH]c2ccccc12.
What is the InChIKey of phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate?
The InChIKey is WNOQEXQVAYYGFK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H18N2O4/c1-14(27)16-11-12-20-22-18(17-9-5-6-10-19(17)25-22)13-21(26(20)23(16)28)24(29)30-15-7-3-2-4-8-15/h2-12,21,25H,13H2,1H3/t21-/m0/s1.
What are the key properties of phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate?
phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate has a molecular weight of 398.42 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (6S)-3-acetyl-4-oxo-7,12-dihydro-6H-indolo[2,3-a]quinolizine-6-carboxylate is sourced from PubChem (CID 141419168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).