(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone

C23H21NO — CID 135011271

IUPAC(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c3cc(C)c(C)cc3c3ccccn23)cc1
InChIInChI=1S/C23H21NO/c1-4-17-8-10-18(11-9-17)23(25)22-20-14-16(3)15(2)13-19(20)21-7-5-6-12-24(21)22/h5-14H,4H2,1-3H3
InChIKeyRTQPIXRXQJSUMO-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.50
Rot. Bonds3

About (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone

(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone (PubChem CID 135011271) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone
PubChem CID135011271
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2c3cc(C)c(C)cc3c3ccccn23)cc1
InChIInChI=1S/C23H21NO/c1-4-17-8-10-18(11-9-17)23(25)22-20-14-16(3)15(2)13-19(20)21-7-5-6-12-24(21)22/h5-14H,4H2,1-3H3
InChIKeyRTQPIXRXQJSUMO-UHFFFAOYSA-N
XLogP5.50
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.50
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 (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone (CID 135011271) is (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2c3cc(C)c(C)cc3c3ccccn23)cc1.
What is the InChIKey of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone?
The InChIKey is RTQPIXRXQJSUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c1-4-17-8-10-18(11-9-17)23(25)22-20-14-16(3)15(2)13-19(20)21-7-5-6-12-24(21)22/h5-14H,4H2,1-3H3.
What are the key properties of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone?
(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone has a molecular weight of 327.43 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 135011271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).