(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

C26H18N2O2 — CID 101120750

IUPAC(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESO=C1C=C2N(C(=O)c3cc4cc5ccccc5cc4[nH]3)C[C@@H]3C[C@]23c2ccccc21
InChIInChI=1S/C26H18N2O2/c29-23-12-24-26(20-8-4-3-7-19(20)23)13-18(26)14-28(24)25(30)22-11-17-9-15-5-1-2-6-16(15)10-21(17)27-22/h1-12,18,27H,13-14H2/t18-,26-/m0/s1
InChIKeyAXUGQDVEIVUXDQ-QYBDOPJKSA-N
MW390.44 g/mol
LogP4.82
Rot. Bonds1

About (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one

(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (PubChem CID 101120750) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.

Molecular Properties

Compound Name(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
PubChem CID101120750
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
SMILESO=C1C=C2N(C(=O)c3cc4cc5ccccc5cc4[nH]3)C[C@@H]3C[C@]23c2ccccc21
InChIInChI=1S/C26H18N2O2/c29-23-12-24-26(20-8-4-3-7-19(20)23)13-18(26)14-28(24)25(30)22-11-17-9-15-5-1-2-6-16(15)10-21(17)27-22/h1-12,18,27H,13-14H2/t18-,26-/m0/s1
InChIKeyAXUGQDVEIVUXDQ-QYBDOPJKSA-N
XLogP4.82
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one with MolForge

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Related Compounds

(13S)-11-(6-nitro-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 11211318
5-hydroxy-2-[5-hydroxy-4-methoxy-2-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
CID 14958892
methyl (1S,12R)-10-(6-hydroxy-5-methoxy-1H-indole-2-carbonyl)-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate
CID 23628877
2-[1-[(1R,13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboximidic acid
CID 138397776
N-[2-[(1R,12S)-3-methyl-7-oxo-5-thia-10-azatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-1H-indol-5-yl]-1H-indole-2-carboxamide
CID 24741823
tert-butyl N-[1-methyl-5-[2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]pyrrol-3-yl]carbamate
CID 10304231
(13S)-8-oxo-11-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraene-4-carbonitrile
CID 10389289
(13S)-11-[5-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethyl-methylamino]ethoxy]-1H-indole-2-carbonyl]-3-methyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 177228731
[(1R,13S)-8-methylidene-11,14-diazatetracyclo[8.5.0.01,13.02,7]pentadeca-2,4,6,9-tetraen-11-yl]-(6-nitro-1H-indol-2-yl)methanone
CID 142969457
1-[(13S)-8-hydroxy-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-11-yl]-5-[(13S)-8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-11-yl]pentane-1,5-dione
CID 122548418
3-(5-methoxy-1H-indole-2-carbonyl)-1a,2-dihydro-1H-cyclopropa[c]indol-7-one
CID 59962437
11-tert-butyl-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one
CID 59827920

Frequently Asked Questions

What is the IUPAC name of (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The IUPAC name of (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one (CID 101120750) is (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one.
What is the SMILES notation for (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The canonical SMILES for (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is O=C1C=C2N(C(=O)c3cc4cc5ccccc5cc4[nH]3)C[C@@H]3C[C@]23c2ccccc21.
What is the InChIKey of (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
The InChIKey is AXUGQDVEIVUXDQ-QYBDOPJKSA-N. The full InChI is InChI=1S/C26H18N2O2/c29-23-12-24-26(20-8-4-3-7-19(20)23)13-18(26)14-28(24)25(30)22-11-17-9-15-5-1-2-6-16(15)10-21(17)27-22/h1-12,18,27H,13-14H2/t18-,26-/m0/s1.
What are the key properties of (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one?
(1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one has a molecular weight of 390.44 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,13R)-11-(1H-benzo[f]indole-2-carbonyl)-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraen-8-one is sourced from PubChem (CID 101120750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).