14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one

C22H17NO2 — CID 54705737

IUPAC14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one
SMILESO=c1c(-c2ccccc2)c(O)c2c3c(cc4ccccc4n13)CCC2
InChIInChI=1S/C22H17NO2/c24-21-17-11-6-10-16-13-15-9-4-5-12-18(15)23(20(16)17)22(25)19(21)14-7-2-1-3-8-14/h1-5,7-9,12-13,24H,6,10-11H2
InChIKeyRLMIRIXGCWXQJE-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.31
Rot. Bonds1

About 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one

14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one (PubChem CID 54705737) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one.

Molecular Properties

Compound Name14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one
PubChem CID54705737
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one
SMILESO=c1c(-c2ccccc2)c(O)c2c3c(cc4ccccc4n13)CCC2
InChIInChI=1S/C22H17NO2/c24-21-17-11-6-10-16-13-15-9-4-5-12-18(15)23(20(16)17)22(25)19(21)14-7-2-1-3-8-14/h1-5,7-9,12-13,24H,6,10-11H2
InChIKeyRLMIRIXGCWXQJE-UHFFFAOYSA-N
XLogP4.31
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-hydroxy-3-phenyl-1,6,7,8-tetrahydroquinoline-2,5-dione
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CID 150847290
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CID 71813180
3-hydroxy-2-oxoquinoline-1-carbonitrile
CID 140907096
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CID 139562427
1-(4-cyclohexyl-1-methyl-3-phenylpyrrolo[1,2-a]quinolin-2-yl)ethanone
CID 72698102
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
5-hydroxy-1,3,8-trimethyl-6-phenylpyrido[2,3-d]pyrimidine-2,4,7-trione
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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one?
The IUPAC name of 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one (CID 54705737) is 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one.
What is the SMILES notation for 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one?
The canonical SMILES for 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one is O=c1c(-c2ccccc2)c(O)c2c3c(cc4ccccc4n13)CCC2.
What is the InChIKey of 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one?
The InChIKey is RLMIRIXGCWXQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-17-11-6-10-16-13-15-9-4-5-12-18(15)23(20(16)17)22(25)19(21)14-7-2-1-3-8-14/h1-5,7-9,12-13,24H,6,10-11H2.
What are the key properties of 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one?
14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one has a molecular weight of 327.38 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-15-phenyl-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,8,13(17),14-hexaen-16-one is sourced from PubChem (CID 54705737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).