6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one

C24H21NO2 — CID 11494132

IUPAC6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC3c4ccccc4CCc4ccccc43)cc2N1
InChIInChI=1S/C24H21NO2/c26-24-15-27-23-12-9-16(14-22(23)25-24)13-21-19-7-3-1-5-17(19)10-11-18-6-2-4-8-20(18)21/h1-9,12,14,21H,10-11,13,15H2,(H,25,26)
InChIKeyDHNPLZYRWCGFHP-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.49
Rot. Bonds2

About 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one

6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 11494132) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
PubChem CID11494132
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC3c4ccccc4CCc4ccccc43)cc2N1
InChIInChI=1S/C24H21NO2/c26-24-15-27-23-12-9-16(14-22(23)25-24)13-21-19-7-3-1-5-17(19)10-11-18-6-2-4-8-20(18)21/h1-9,12,14,21H,10-11,13,15H2,(H,25,26)
InChIKeyDHNPLZYRWCGFHP-UHFFFAOYSA-N
XLogP4.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one with MolForge

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Related Compounds

6-(chloromethyl)-4H-1,4-benzoxazin-3-one
CID 43121482
6-(pyrrolidin-2-ylmethyl)-4H-1,4-benzoxazin-3-one
CID 82231447
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetaldehyde
CID 91313215
6-[[methyl(methylaminomethyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 115227033
6-(2,2-dimethylpropyl)-4H-1,4-benzoxazin-3-one
CID 59743795
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94812762
6-[(cyclohexylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 66716661
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
6-[(2-phenylethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 103075286
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
6-(piperazin-1-ylmethyl)-4H-1,4-benzoxazin-3-one;dihydrochloride
CID 22326733
N-methyl-3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylpropanamide
CID 110390265

Frequently Asked Questions

What is the IUPAC name of 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one (CID 11494132) is 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CC3c4ccccc4CCc4ccccc43)cc2N1.
What is the InChIKey of 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is DHNPLZYRWCGFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-24-15-27-23-12-9-16(14-22(23)25-24)13-21-19-7-3-1-5-17(19)10-11-18-6-2-4-8-20(18)21/h1-9,12,14,21H,10-11,13,15H2,(H,25,26).
What are the key properties of 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one?
6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 355.44 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11494132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).