1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone

C21H20N2O — CID 72873941

IUPAC1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C21H20N2O/c1-13-8-9-19-18(10-13)20(14(2)15(3)22-19)21(24)23-11-16-6-4-5-7-17(16)12-23/h4-10H,11-12H2,1-3H3
InChIKeyNDBGGUSVHCHUOH-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.32
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone

1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone (PubChem CID 72873941) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
PubChem CID72873941
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3Cc4ccccc4C3)c2c1
InChIInChI=1S/C21H20N2O/c1-13-8-9-19-18(10-13)20(14(2)15(3)22-19)21(24)23-11-16-6-4-5-7-17(16)12-23/h4-10H,11-12H2,1-3H3
InChIKeyNDBGGUSVHCHUOH-UHFFFAOYSA-N
XLogP4.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
CID 131893621
2,3,6-trimethylquinoline-4-carbonyl chloride
CID 146553345
(4-thiomorpholin-4-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72862430
furan-3-yl-[4-(2,3,6-trimethylquinoline-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 72924231
8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50951317
(2-pyridin-2-ylpiperidin-1-yl)-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72876256
morpholin-4-yl-[1-(2,3,6-trimethylquinoline-4-carbonyl)piperidin-3-yl]methanone
CID 131894267
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone;dihydrochloride
CID 154899877
(2-amino-6-methylquinazolin-4-yl)-(5-bromo-1,3-dihydroisoindol-2-yl)methanone
CID 25160507
3-ethyl-4-(2,3,6-trimethylquinoline-4-carbonyl)piperazin-2-one
CID 72903841
(3,6-dimethyl-2-phenylquinolin-4-yl)-imidazol-1-ylmethanone
CID 130405382
(6-methyl-3-phenylcinnolin-4-yl)-pyrrolidin-1-ylmethanone
CID 46288114

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone (CID 72873941) is 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone is Cc1ccc2nc(C)c(C)c(C(=O)N3Cc4ccccc4C3)c2c1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone?
The InChIKey is NDBGGUSVHCHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c1-13-8-9-19-18(10-13)20(14(2)15(3)22-19)21(24)23-11-16-6-4-5-7-17(16)12-23/h4-10H,11-12H2,1-3H3.
What are the key properties of 1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone?
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 4.32, 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-(2,3,6-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 72873941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).