1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone

C20H18N2O — CID 70719076

IUPAC1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)c2cccc(C)c2n1
InChIInChI=1S/C20H18N2O/c1-13-6-5-9-17-18(10-14(2)21-19(13)17)20(23)22-11-15-7-3-4-8-16(15)12-22/h3-10H,11-12H2,1-2H3
InChIKeyYPXAUUSUJGUPIM-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.01
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone

1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone (PubChem CID 70719076) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
PubChem CID70719076
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2Cc3ccccc3C2)c2cccc(C)c2n1
InChIInChI=1S/C20H18N2O/c1-13-6-5-9-17-18(10-14(2)21-19(13)17)20(23)22-11-15-7-3-4-8-16(15)12-22/h3-10H,11-12H2,1-2H3
InChIKeyYPXAUUSUJGUPIM-UHFFFAOYSA-N
XLogP4.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
1,3-dihydroisoindol-2-yl-(8-methyl-2-pyrazolidin-4-ylquinolin-4-yl)methanone
CID 85480611
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
CID 46985286
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
2-[4-(2,8-dimethylquinoline-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 70730012
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
(1S,5R)-3-(2,8-dimethylquinoline-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749102
[8-methyl-2-(5-methylthiophen-2-yl)quinolin-4-yl]-morpholin-4-ylmethanone
CID 35330795
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(4-ethylpiperazin-1-yl)-(2-methyl-8-phenylquinolin-4-yl)methanone
CID 50788828

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone (CID 70719076) is 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone is Cc1cc(C(=O)N2Cc3ccccc3C2)c2cccc(C)c2n1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone?
The InChIKey is YPXAUUSUJGUPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-13-6-5-9-17-18(10-14(2)21-19(13)17)20(23)22-11-15-7-3-4-8-16(15)12-22/h3-10H,11-12H2,1-2H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone?
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone is sourced from PubChem (CID 70719076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).