5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

C18H14ClNO3 — CID 44575026

IUPAC5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(C)C2=O
InChIInChI=1S/C18H14ClNO3/c1-20-13-7-9-6-10(19)4-5-11(9)16-15(13)12(18(20)21)8-14(22-2)17(16)23-3/h4-8H,1-3H3
InChIKeyFRBSOUBKLUIMMD-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.25
Rot. Bonds2

About 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one

5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (PubChem CID 44575026) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.

Molecular Properties

Compound Name5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
PubChem CID44575026
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
SMILESCOc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(C)C2=O
InChIInChI=1S/C18H14ClNO3/c1-20-13-7-9-6-10(19)4-5-11(9)16-15(13)12(18(20)21)8-14(22-2)17(16)23-3/h4-8H,1-3H3
InChIKeyFRBSOUBKLUIMMD-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The IUPAC name of 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one (CID 44575026) is 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one.
What is the SMILES notation for 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The canonical SMILES for 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is COc1cc2c3c(cc4cc(Cl)ccc4c3c1OC)N(C)C2=O.
What is the InChIKey of 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
The InChIKey is FRBSOUBKLUIMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-20-13-7-9-6-10(19)4-5-11(9)16-15(13)12(18(20)21)8-14(22-2)17(16)23-3/h4-8H,1-3H3.
What are the key properties of 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one?
5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one has a molecular weight of 327.77 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-14,15-dimethoxy-10-methyl-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one is sourced from PubChem (CID 44575026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).