(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one

C20H24ClNO4 — CID 138492066

IUPAC(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
SMILES[H]/N=C1\C=C\CC/C=C/CC(CCC)OC(=O)c2c(O)cc(O)c(Cl)c2C1
InChIInChI=1S/C20H24ClNO4/c1-2-8-14-10-7-5-3-4-6-9-13(22)11-15-18(20(25)26-14)16(23)12-17(24)19(15)21/h5-7,9,12,14,22-24H,2-4,8,10-11H2,1H3/b7-5+,9-6+,22-13+
InChIKeyWUUGECZGCQNOOH-OYQGSHCLSA-N
MW377.87 g/mol
LogP4.94
Rot. Bonds2

About (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one

(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one (PubChem CID 138492066) has the molecular formula C20H24ClNO4 and a molecular weight of 377.87 g/mol. Its IUPAC name is (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one.

Molecular Properties

Compound Name(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
PubChem CID138492066
Molecular FormulaC20H24ClNO4
Molecular Weight377.87 g/mol
Exact Mass377.14
IUPAC Name(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
SMILES[H]/N=C1\C=C\CC/C=C/CC(CCC)OC(=O)c2c(O)cc(O)c(Cl)c2C1
InChIInChI=1S/C20H24ClNO4/c1-2-8-14-10-7-5-3-4-6-9-13(22)11-15-18(20(25)26-14)16(23)12-17(24)19(15)21/h5-7,9,12,14,22-24H,2-4,8,10-11H2,1H3/b7-5+,9-6+,22-13+
InChIKeyWUUGECZGCQNOOH-OYQGSHCLSA-N
XLogP4.94
TPSA90.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-8-methyl-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 138492073
(4R)-15-chloro-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 91278366
(10E)-15-chloro-16,18-dihydroxy-12-imino-7-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraen-2-one
CID 131970414
(6E,10E,12Z)-4-(2-aminoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421999
(6E,10E,12Z)-4-(2-azidoethyl)-15-chloro-16,18-dihydroxy-12-(2-oxo-2-piperidin-1-ylethoxy)imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 58421941
2-[[(6E,10E)-16,18-dihydroxy-2-oxo-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-N,N-diethylacetamide
CID 159728435
(4S,6E,10E)-15-chloro-16-hydroxy-18-methyl-4-propan-2-yl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 131982488
(4S,6E,10E)-16,18-dihydroxy-4-(2-iodoethyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 163864150
(6E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 152773488
benzene;(6E,10E)-15-chloro-16,18-dihydroxy-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaene-2,12-dione
CID 143627522
2-[(E)-[(6E,10E)-15-chloro-18-ethyl-16-hydroxy-2-methylidene-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-12-ylidene]amino]oxy-1-piperidin-1-ylethanone
CID 143835886
(6E,10E)-16,18-dihydroxy-12-imino-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one
CID 121367043

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one?
The IUPAC name of (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one (CID 138492066) is (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one.
What is the SMILES notation for (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one?
The canonical SMILES for (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one is [H]/N=C1\C=C\CC/C=C/CC(CCC)OC(=O)c2c(O)cc(O)c(Cl)c2C1.
What is the InChIKey of (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one?
The InChIKey is WUUGECZGCQNOOH-OYQGSHCLSA-N. The full InChI is InChI=1S/C20H24ClNO4/c1-2-8-14-10-7-5-3-4-6-9-13(22)11-15-18(20(25)26-14)16(23)12-17(24)19(15)21/h5-7,9,12,14,22-24H,2-4,8,10-11H2,1H3/b7-5+,9-6+,22-13+.
What are the key properties of (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one?
(6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one has a molecular weight of 377.87 g/mol, XLogP of 4.94, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-15-chloro-16,18-dihydroxy-12-imino-4-propyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,10,15,17-pentaen-2-one is sourced from PubChem (CID 138492066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).