(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one

C19H16N2O2 — CID 15396395

IUPAC(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
SMILESCC(=O)N1C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]21
InChIInChI=1S/C19H16N2O2/c1-10(22)21-18-16-13-8-4-2-6-11(13)15(17(18)20-19(21)23)12-7-3-5-9-14(12)16/h2-9,15-18H,1H3,(H,20,23)/t15?,16?,17-,18+/m0/s1
InChIKeyOVDANHGZCQNMCG-ZGUYJTEBSA-N
MW304.35 g/mol
LogP2.59
Rot. Bonds

About (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one

(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one (PubChem CID 15396395) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one.

Molecular Properties

Compound Name(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
PubChem CID15396395
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one
SMILESCC(=O)N1C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]21
InChIInChI=1S/C19H16N2O2/c1-10(22)21-18-16-13-8-4-2-6-11(13)15(17(18)20-19(21)23)12-7-3-5-9-14(12)16/h2-9,15-18H,1H3,(H,20,23)/t15?,16?,17-,18+/m0/s1
InChIKeyOVDANHGZCQNMCG-ZGUYJTEBSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one with MolForge

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Related Compounds

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1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one?
The IUPAC name of (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one (CID 15396395) is (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one.
What is the SMILES notation for (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one?
The canonical SMILES for (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one is CC(=O)N1C(=O)N[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]21.
What is the InChIKey of (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one?
The InChIKey is OVDANHGZCQNMCG-ZGUYJTEBSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-10(22)21-18-16-13-8-4-2-6-11(13)15(17(18)20-19(21)23)12-7-3-5-9-14(12)16/h2-9,15-18H,1H3,(H,20,23)/t15?,16?,17-,18+/m0/s1.
What are the key properties of (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one?
(15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one has a molecular weight of 304.35 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19S)-16-acetyl-16,18-diazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-one is sourced from PubChem (CID 15396395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).