(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione

C19H24ClNO4 — CID 74538847

IUPAC(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione
SMILESCN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
InChIInChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyWWDYZJACOLMKDH-GQCTYLIASA-N
MW365.86 g/mol
LogP3.85
Rot. Bonds

About (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione

(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione (PubChem CID 74538847) has the molecular formula C19H24ClNO4 and a molecular weight of 365.86 g/mol. Its IUPAC name is (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione.

Molecular Properties

Compound Name(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione
PubChem CID74538847
Molecular FormulaC19H24ClNO4
Molecular Weight365.86 g/mol
Exact Mass365.14
IUPAC Name(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione
SMILESCN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O
InChIInChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+
InChIKeyWWDYZJACOLMKDH-GQCTYLIASA-N
XLogP3.85
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione?
The IUPAC name of (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione (CID 74538847) is (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione.
What is the SMILES notation for (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione?
The canonical SMILES for (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione is CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O.
What is the InChIKey of (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione?
The InChIKey is WWDYZJACOLMKDH-GQCTYLIASA-N. The full InChI is InChI=1S/C19H24ClNO4/c1-21-10-8-6-4-2-3-5-7-9-13(22)11-14-17(19(21)25)15(23)12-16(24)18(14)20/h4,6,12,23-24H,2-3,5,7-11H2,1H3/b6-4+.
What are the key properties of (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione?
(6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione has a molecular weight of 365.86 g/mol, XLogP of 3.85, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-16-chloro-17,19-dihydroxy-3-methyl-3-azabicyclo[13.4.0]nonadeca-1(15),6,16,18-tetraene-2,13-dione is sourced from PubChem (CID 74538847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).