8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene

C20H19NO — CID 122375525

IUPAC8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene
SMILESCN1c2ccccc2C23OCCC12CC=C3c1ccccc1
InChIInChI=1S/C20H19NO/c1-21-18-10-6-5-9-17(18)20-16(15-7-3-2-4-8-15)11-12-19(20,21)13-14-22-20/h2-11H,12-14H2,1H3
InChIKeySQJWFTZEVLSGEV-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.98
Rot. Bonds1

About 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene

8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene (PubChem CID 122375525) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene.

Molecular Properties

Compound Name8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene
PubChem CID122375525
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene
SMILESCN1c2ccccc2C23OCCC12CC=C3c1ccccc1
InChIInChI=1S/C20H19NO/c1-21-18-10-6-5-9-17(18)20-16(15-7-3-2-4-8-15)11-12-19(20,21)13-14-22-20/h2-11H,12-14H2,1H3
InChIKeySQJWFTZEVLSGEV-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24861868
(3aS,8bS)-8b-methoxy-3,4-dimethyl-3a-phenyl-1,2-dihydropyrrolo[2,3-b]indole
CID 162668542
2-[(1S,3S,4S,7S,9R)-9-[2-(dimethylamino)phenyl]-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]-N,N-dimethylaniline
CID 168275086
2-[(1S,3R,4S,7S,9R)-9-[2-(dimethylamino)phenyl]-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]-N,N-dimethylaniline
CID 168275530
2-[(1S,3S,4S,7S,9S)-9-[2-(dimethylamino)phenyl]-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]-N,N-dimethylaniline
CID 168281652
2-[(1S,3R,4S,7S,9S)-9-[2-(dimethylamino)phenyl]-3,9-dimethyl-2,5,8-trioxa-10-azatricyclo[5.2.1.04,10]decan-3-yl]-N,N-dimethylaniline
CID 168284470
(3aS)-4,4-difluoro-3a-phenyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indole
CID 134944866
5-methyl-9b-phenyl-3,4a-dihydro-2H-[1,4]dioxino[2,3-b]indole
CID 102460562
(3aS,8bS)-8b-methoxy-3,4-dimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 102178164
4-[[1-[(4-fluorophenyl)methyl]-3-methoxy-2H-indol-3-yl]methyl]-N,N-dimethylaniline
CID 49855018
4-[(E)-2-(6-fluoro-4,4-dimethyl-1,2-dihydro-[1,3]oxazolo[3,2-a]indol-3a-yl)ethenyl]-N,N-dimethylaniline
CID 179043228
(2S,3'S,3aS,8bS)-3',3a,8b-trimethyl-1',4-bis(prop-2-enyl)spiro[3H-furo[3,2-b]indole-2,2'-indole]-3'-ol
CID 11538636

Frequently Asked Questions

What is the IUPAC name of 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene?
The IUPAC name of 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene (CID 122375525) is 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene.
What is the SMILES notation for 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene?
The canonical SMILES for 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene is CN1c2ccccc2C23OCCC12CC=C3c1ccccc1.
What is the InChIKey of 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene?
The InChIKey is SQJWFTZEVLSGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21-18-10-6-5-9-17(18)20-16(15-7-3-2-4-8-15)11-12-19(20,21)13-14-22-20/h2-11H,12-14H2,1H3.
What are the key properties of 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene?
8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene has a molecular weight of 289.38 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-13-phenyl-12-oxa-8-azatetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6,13-tetraene is sourced from PubChem (CID 122375525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).