7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one

C18H18N2O3 — CID 91068093

IUPAC7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)CCCC4)ccc12
InChIInChI=1S/C18H18N2O3/c1-10-8-16(21)19-15-9-11(6-7-12(10)15)20-17(22)13-4-2-3-5-14(13)18(20)23/h6-9,22-23H,2-5H2,1H3,(H,19,21)
InChIKeyBGAOILLQTKBSCM-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.92
Rot. Bonds1

About 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one

7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one (PubChem CID 91068093) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one
PubChem CID91068093
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)CCCC4)ccc12
InChIInChI=1S/C18H18N2O3/c1-10-8-16(21)19-15-9-11(6-7-12(10)15)20-17(22)13-4-2-3-5-14(13)18(20)23/h6-9,22-23H,2-5H2,1H3,(H,19,21)
InChIKeyBGAOILLQTKBSCM-UHFFFAOYSA-N
XLogP2.92
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one (CID 91068093) is 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(-n3c(O)c4c(c3O)CCCC4)ccc12.
What is the InChIKey of 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one?
The InChIKey is BGAOILLQTKBSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10-8-16(21)19-15-9-11(6-7-12(10)15)20-17(22)13-4-2-3-5-14(13)18(20)23/h6-9,22-23H,2-5H2,1H3,(H,19,21).
What are the key properties of 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one?
7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one has a molecular weight of 310.35 g/mol, XLogP of 2.92, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 91068093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).