(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one

C19H16N2O2 — CID 102457122

IUPAC(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one
SMILESO=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2[C@H]2c3ccccc3CCN12
InChIInChI=1S/C19H16N2O2/c22-19-15-16(13-7-2-1-3-8-13)20-23-18(15)17-14-9-5-4-6-12(14)10-11-21(17)19/h1-9,15,17-18H,10-11H2/t15-,17-,18+/m1/s1
InChIKeyYAGQRHOLCLTTAV-NXHRZFHOSA-N
MW304.35 g/mol
LogP2.55
Rot. Bonds1

About (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one

(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one (PubChem CID 102457122) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one.

Molecular Properties

Compound Name(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one
PubChem CID102457122
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one
SMILESO=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2[C@H]2c3ccccc3CCN12
InChIInChI=1S/C19H16N2O2/c22-19-15-16(13-7-2-1-3-8-13)20-23-18(15)17-14-9-5-4-6-12(14)10-11-21(17)19/h1-9,15,17-18H,10-11H2/t15-,17-,18+/m1/s1
InChIKeyYAGQRHOLCLTTAV-NXHRZFHOSA-N
XLogP2.55
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one with MolForge

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Related Compounds

(1S,9R,12R,16S)-9-methyl-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one
CID 122401448
(1S,2S,10bR)-1,2-dihydroxy-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinolin-3-one
CID 45093566
1-(3,4,5-trimethoxyphenyl)-1,4,5,9b-tetrahydroazeto[2,1-a]isoquinolin-2-one
CID 177473444
(1S,2R,6R,8S)-5,9-diphenyl-3,11-dioxa-7λ6-thia-4,10-diazatricyclo[6.3.0.02,6]undeca-4,9-diene 7,7-dioxide
CID 27242942
(3aS,8bR)-3-phenyl-4,8b-dihydro-3aH-indeno[2,1-d][1,2]oxazole
CID 15418190
(3aR,7aR)-3-phenyl-5,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-4-one
CID 12708119
(3aS,6S,6aR)-6-hydroxy-3-phenyl-3a,5,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-4-one
CID 6711601
(1R,2R)-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,17,19,21-hexaen-12-one
CID 11098751
3-methyl-5-phenyl-2,5-dihydro-1H-3-benzazepin-4-one
CID 122217133
methyl 2-hydroxy-3-oxo-2,5,6,10b-tetrahydro-1H-pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 14141086
(13R,13aS)-8-oxo-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinoline-13-carboxylic acid
CID 51659728
13-[4-(dimethylamino)phenyl]-1,11-diazapentacyclo[12.8.0.02,11.03,8.015,20]docosa-3,5,7,15,17,19-hexaen-12-one
CID 177433849

Frequently Asked Questions

What is the IUPAC name of (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one?
The IUPAC name of (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one (CID 102457122) is (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one.
What is the SMILES notation for (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one?
The canonical SMILES for (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one is O=C1[C@@H]2C(c3ccccc3)=NO[C@@H]2[C@H]2c3ccccc3CCN12.
What is the InChIKey of (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one?
The InChIKey is YAGQRHOLCLTTAV-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-19-15-16(13-7-2-1-3-8-13)20-23-18(15)17-14-9-5-4-6-12(14)10-11-21(17)19/h1-9,15,17-18H,10-11H2/t15-,17-,18+/m1/s1.
What are the key properties of (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one?
(1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one has a molecular weight of 304.35 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R,16S)-13-phenyl-15-oxa-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,13-tetraen-11-one is sourced from PubChem (CID 102457122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).