5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one

C19H13NO — CID 102134774

IUPAC5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
SMILESCc1ccc2ccc3nc4ccccc4cc3c(=O)c2c1
InChIInChI=1S/C19H13NO/c1-12-6-7-13-8-9-18-16(19(21)15(13)10-12)11-14-4-2-3-5-17(14)20-18/h2-11H,1H3
InChIKeyQNWPPOCTSLKJHY-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.21
Rot. Bonds

About 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one

5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one (PubChem CID 102134774) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one.

Molecular Properties

Compound Name5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
PubChem CID102134774
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one
SMILESCc1ccc2ccc3nc4ccccc4cc3c(=O)c2c1
InChIInChI=1S/C19H13NO/c1-12-6-7-13-8-9-18-16(19(21)15(13)10-12)11-14-4-2-3-5-17(14)20-18/h2-11H,1H3
InChIKeyQNWPPOCTSLKJHY-UHFFFAOYSA-N
XLogP4.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one?
The IUPAC name of 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one (CID 102134774) is 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one.
What is the SMILES notation for 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one?
The canonical SMILES for 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one is Cc1ccc2ccc3nc4ccccc4cc3c(=O)c2c1.
What is the InChIKey of 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one?
The InChIKey is QNWPPOCTSLKJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-12-6-7-13-8-9-18-16(19(21)15(13)10-12)11-14-4-2-3-5-17(14)20-18/h2-11H,1H3.
What are the key properties of 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one?
5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one has a molecular weight of 271.32 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-12-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,9,11,13,15,17-nonaen-2-one is sourced from PubChem (CID 102134774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).