3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

C16H15NO4 — CID 11997642

IUPAC3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc(C2(O)c3ccccc3NC(=O)C2O)cc1
InChIInChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)
InChIKeyVJLVPUFVTPJHDI-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.24
Rot. Bonds2

About 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one

3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (PubChem CID 11997642) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
PubChem CID11997642
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one
SMILESCOc1ccc(C2(O)c3ccccc3NC(=O)C2O)cc1
InChIInChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19)
InChIKeyVJLVPUFVTPJHDI-UHFFFAOYSA-N
XLogP1.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The IUPAC name of 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one (CID 11997642) is 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one.
What is the SMILES notation for 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The canonical SMILES for 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is COc1ccc(C2(O)c3ccccc3NC(=O)C2O)cc1.
What is the InChIKey of 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
The InChIKey is VJLVPUFVTPJHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-21-11-8-6-10(7-9-11)16(20)12-4-2-3-5-13(12)17-15(19)14(16)18/h2-9,14,18,20H,1H3,(H,17,19).
What are the key properties of 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one?
3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-(4-methoxyphenyl)-1,3-dihydroquinolin-2-one is sourced from PubChem (CID 11997642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).