phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone

C22H19NO — CID 135011268

IUPACphenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone
SMILESCc1ccn2c(C(=O)c3ccccc3)c3cc(C)c(C)cc3c2c1
InChIInChI=1S/C22H19NO/c1-14-9-10-23-20(11-14)18-12-15(2)16(3)13-19(18)21(23)22(24)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyUGCQKQTXZTWEBC-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.25
Rot. Bonds2

About phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone

phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone (PubChem CID 135011268) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone.

Molecular Properties

Compound Namephenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone
PubChem CID135011268
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Namephenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone
SMILESCc1ccn2c(C(=O)c3ccccc3)c3cc(C)c(C)cc3c2c1
InChIInChI=1S/C22H19NO/c1-14-9-10-23-20(11-14)18-12-15(2)16(3)13-19(18)21(23)22(24)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyUGCQKQTXZTWEBC-UHFFFAOYSA-N
XLogP5.25
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Jwh 018
CID 10382701
(1-Butyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 10471670
Jwh 122
CID 44466638
(4-Ethyl-1-naphthalenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 45270396
AM 2201
CID 53393997
(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
CID 44418307
AM-1220, (+-)-
CID 9929889
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
(4-Fluoronaphthalen-1-yl)(1-pentyl-1h-indol-3-yl)methanone
CID 71454236
2-(2-Methylphenyl)-1-(1-pentyl-1H-indol-3-yl)ethanone
CID 11616723
(1-hexyl-1H-indol-3-yl)-1-naphthalenylmethanone
CID 52224389
Jwh-167
CID 44397502

Frequently Asked Questions

What is the IUPAC name of phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone?
The IUPAC name of phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone (CID 135011268) is phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone.
What is the SMILES notation for phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone?
The canonical SMILES for phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone is Cc1ccn2c(C(=O)c3ccccc3)c3cc(C)c(C)cc3c2c1.
What is the InChIKey of phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone?
The InChIKey is UGCQKQTXZTWEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-14-9-10-23-20(11-14)18-12-15(2)16(3)13-19(18)21(23)22(24)17-7-5-4-6-8-17/h4-13H,1-3H3.
What are the key properties of phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone?
phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2,8,9-trimethylpyrido[1,2-b]isoindol-6-yl)methanone is sourced from PubChem (CID 135011268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).