5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one

C18H17NO3 — CID 90325819

IUPAC5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one
SMILESCc1cccc(Cc2c(C)c3c(O)cc(O)cc3[nH]c2=O)c1
InChIInChI=1S/C18H17NO3/c1-10-4-3-5-12(6-10)7-14-11(2)17-15(19-18(14)22)8-13(20)9-16(17)21/h3-6,8-9,20-21H,7H2,1-2H3,(H,19,22)
InChIKeyIGUNOHRNQMIKSA-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.15
Rot. Bonds2

About 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one

5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one (PubChem CID 90325819) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one
PubChem CID90325819
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one
SMILESCc1cccc(Cc2c(C)c3c(O)cc(O)cc3[nH]c2=O)c1
InChIInChI=1S/C18H17NO3/c1-10-4-3-5-12(6-10)7-14-11(2)17-15(19-18(14)22)8-13(20)9-16(17)21/h3-6,8-9,20-21H,7H2,1-2H3,(H,19,22)
InChIKeyIGUNOHRNQMIKSA-UHFFFAOYSA-N
XLogP3.15
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one (CID 90325819) is 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one is Cc1cccc(Cc2c(C)c3c(O)cc(O)cc3[nH]c2=O)c1.
What is the InChIKey of 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one?
The InChIKey is IGUNOHRNQMIKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-10-4-3-5-12(6-10)7-14-11(2)17-15(19-18(14)22)8-13(20)9-16(17)21/h3-6,8-9,20-21H,7H2,1-2H3,(H,19,22).
What are the key properties of 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one?
5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one has a molecular weight of 295.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-4-methyl-3-[(3-methylphenyl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 90325819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).