13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one

C20H12ClN3O3 — CID 15425881

IUPAC13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one
SMILESNc1ncnc2c1C(c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C20H12ClN3O3/c21-11-7-5-10(6-8-11)14-15-17(27-19-16(14)18(22)23-9-24-19)12-3-1-2-4-13(12)26-20(15)25/h1-9,14H,(H2,22,23,24)
InChIKeyRUBXNTHZFIKIPY-UHFFFAOYSA-N
MW377.79 g/mol
LogP4.10
Rot. Bonds1

About 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one

13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one (PubChem CID 15425881) has the molecular formula C20H12ClN3O3 and a molecular weight of 377.79 g/mol. Its IUPAC name is 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one.

Molecular Properties

Compound Name13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one
PubChem CID15425881
Molecular FormulaC20H12ClN3O3
Molecular Weight377.79 g/mol
Exact Mass377.06
IUPAC Name13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one
SMILESNc1ncnc2c1C(c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2
InChIInChI=1S/C20H12ClN3O3/c21-11-7-5-10(6-8-11)14-15-17(27-19-16(14)18(22)23-9-24-19)12-3-1-2-4-13(12)26-20(15)25/h1-9,14H,(H2,22,23,24)
InChIKeyRUBXNTHZFIKIPY-UHFFFAOYSA-N
XLogP4.10
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The IUPAC name of 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one (CID 15425881) is 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one.
What is the SMILES notation for 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The canonical SMILES for 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one is Nc1ncnc2c1C(c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2.
What is the InChIKey of 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
The InChIKey is RUBXNTHZFIKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O3/c21-11-7-5-10(6-8-11)14-15-17(27-19-16(14)18(22)23-9-24-19)12-3-1-2-4-13(12)26-20(15)25/h1-9,14H,(H2,22,23,24).
What are the key properties of 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one?
13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one has a molecular weight of 377.79 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-amino-11-(4-chlorophenyl)-8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,12,14,16-heptaen-9-one is sourced from PubChem (CID 15425881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).