(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone

C21H17NO — CID 102033854

IUPAC(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone
SMILESCc1cc2c(C(=O)c3ccccc3)n3ccccc3c2cc1C
InChIInChI=1S/C21H17NO/c1-14-12-17-18(13-15(14)2)20(22-11-7-6-10-19(17)22)21(23)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyQYTPUEAROFMVFT-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.94
Rot. Bonds2

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

(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone (PubChem CID 102033854) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone
PubChem CID102033854
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone
SMILESCc1cc2c(C(=O)c3ccccc3)n3ccccc3c2cc1C
InChIInChI=1S/C21H17NO/c1-14-12-17-18(13-15(14)2)20(22-11-7-6-10-19(17)22)21(23)16-8-4-3-5-9-16/h3-13H,1-2H3
InChIKeyQYTPUEAROFMVFT-UHFFFAOYSA-N
XLogP4.94
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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AM 2201
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(1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone
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AM-1220, (+-)-
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(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)-phenylmethanone?
The IUPAC name of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone (CID 102033854) is (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone.
What is the SMILES notation for (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone?
The canonical SMILES for (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone is Cc1cc2c(C(=O)c3ccccc3)n3ccccc3c2cc1C.
What is the InChIKey of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone?
The InChIKey is QYTPUEAROFMVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO/c1-14-12-17-18(13-15(14)2)20(22-11-7-6-10-19(17)22)21(23)16-8-4-3-5-9-16/h3-13H,1-2H3.
What are the key properties of (8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone?
(8,9-dimethylpyrido[1,2-b]isoindol-6-yl)-phenylmethanone has a molecular weight of 299.37 g/mol, XLogP of 4.94, 2 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)-phenylmethanone is sourced from PubChem (CID 102033854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).