4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene

C19H15N — CID 145321999

IUPAC4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene
SMILESCc1cccccc2c([nH]1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H15N/c1-13-7-3-2-4-10-16-15-11-5-8-14-9-6-12-17(18(14)15)19(16)20-13/h2-12,20H,1H3/b3-2-,10-4-,13-7-
InChIKeyHVUGQUBQOZRCGO-KFQAZCDISA-N
MW257.34 g/mol
LogP5.25
Rot. Bonds

About 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene

4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene (PubChem CID 145321999) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene
PubChem CID145321999
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene
SMILESCc1cccccc2c([nH]1)-c1cccc3cccc-2c13
InChIInChI=1S/C19H15N/c1-13-7-3-2-4-10-16-15-11-5-8-14-9-6-12-17(18(14)15)19(16)20-13/h2-12,20H,1H3/b3-2-,10-4-,13-7-
InChIKeyHVUGQUBQOZRCGO-KFQAZCDISA-N
XLogP5.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.34
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene?
The IUPAC name of 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene (CID 145321999) is 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene.
What is the SMILES notation for 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene?
The canonical SMILES for 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene is Cc1cccccc2c([nH]1)-c1cccc3cccc-2c13.
What is the InChIKey of 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene?
The InChIKey is HVUGQUBQOZRCGO-KFQAZCDISA-N. The full InChI is InChI=1S/C19H15N/c1-13-7-3-2-4-10-16-15-11-5-8-14-9-6-12-17(18(14)15)19(16)20-13/h2-12,20H,1H3/b3-2-,10-4-,13-7-.
What are the key properties of 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene?
4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene has a molecular weight of 257.34 g/mol, XLogP of 5.25, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-azatetracyclo[9.7.1.02,10.015,19]nonadeca-1(18),2(10),4,6,8,11,13,15(19),16-nonaene is sourced from PubChem (CID 145321999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).