4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene

C17H16ClN — CID 15580935

IUPAC4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene
SMILESCC12NC(Cc3ccccc31)Cc1ccc(Cl)cc12
InChIInChI=1S/C17H16ClN/c1-17-15-5-3-2-4-11(15)8-14(19-17)9-12-6-7-13(18)10-16(12)17/h2-7,10,14,19H,8-9H2,1H3
InChIKeyRXFHORIRFYLWOW-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.67
Rot. Bonds

About 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene

4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene (PubChem CID 15580935) has the molecular formula C17H16ClN and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene.

Molecular Properties

Compound Name4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene
PubChem CID15580935
Molecular FormulaC17H16ClN
Molecular Weight269.77 g/mol
Exact Mass269.10
IUPAC Name4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene
SMILESCC12NC(Cc3ccccc31)Cc1ccc(Cl)cc12
InChIInChI=1S/C17H16ClN/c1-17-15-5-3-2-4-11(15)8-14(19-17)9-12-6-7-13(18)10-16(12)17/h2-7,10,14,19H,8-9H2,1H3
InChIKeyRXFHORIRFYLWOW-UHFFFAOYSA-N
XLogP3.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene?
The IUPAC name of 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene (CID 15580935) is 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene.
What is the SMILES notation for 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene?
The canonical SMILES for 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene is CC12NC(Cc3ccccc31)Cc1ccc(Cl)cc12.
What is the InChIKey of 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene?
The InChIKey is RXFHORIRFYLWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN/c1-17-15-5-3-2-4-11(15)8-14(19-17)9-12-6-7-13(18)10-16(12)17/h2-7,10,14,19H,8-9H2,1H3.
What are the key properties of 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene?
4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene has a molecular weight of 269.77 g/mol, XLogP of 3.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-17-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),3,5,11,13,15-hexaene is sourced from PubChem (CID 15580935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).