4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one

C18H17N3O2 — CID 118152407

IUPAC4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one
SMILESCOc1ccc(-c2ccc3nc4c(n3c2)C(=O)CCCC4)cn1
InChIInChI=1S/C18H17N3O2/c1-23-17-9-7-12(10-19-17)13-6-8-16-20-14-4-2-3-5-15(22)18(14)21(16)11-13/h6-11H,2-5H2,1H3
InChIKeyQFUMRKSRQSXXTO-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.31
Rot. Bonds2

About 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one

4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one (PubChem CID 118152407) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one
PubChem CID118152407
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one
SMILESCOc1ccc(-c2ccc3nc4c(n3c2)C(=O)CCCC4)cn1
InChIInChI=1S/C18H17N3O2/c1-23-17-9-7-12(10-19-17)13-6-8-16-20-14-4-2-3-5-15(22)18(14)21(16)11-13/h6-11H,2-5H2,1H3
InChIKeyQFUMRKSRQSXXTO-UHFFFAOYSA-N
XLogP3.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methoxy-3-pyridinyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 126832344
11-chloro-12-(6-methoxy-3-pyridinyl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 122540246
3-[2-(difluoromethoxy)phenyl]-12-(6-methoxy-3-pyridinyl)-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118142501
[2-(6-methoxy-3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
CID 114938453
2-(6-methoxy-3-pyridinyl)-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114938362
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
7-(6-methoxy-3-pyridinyl)-2,3-dihydrochromen-4-one
CID 72846544
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
4-[5-[9-(2-methoxyphenyl)-6,7-dihydropyrido[1,2-a]benzimidazol-2-yl]pyrimidin-2-yl]morpholine
CID 122621977
1-cyclohexyl-3-[[6-(6-methoxy-3-pyridinyl)naphthalen-2-yl]methyl]pyrrolidin-2-one
CID 11502520
12-(1-methylpyrazol-4-yl)-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 134328738

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one (CID 118152407) is 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one is COc1ccc(-c2ccc3nc4c(n3c2)C(=O)CCCC4)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one?
The InChIKey is QFUMRKSRQSXXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-9-7-12(10-19-17)13-6-8-16-20-14-4-2-3-5-15(22)18(14)21(16)11-13/h6-11H,2-5H2,1H3.
What are the key properties of 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one?
4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one has a molecular weight of 307.35 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraen-14-one is sourced from PubChem (CID 118152407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).