4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one

C27H22N2O4 — CID 54687020

IUPAC4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21
InChIInChI=1S/C27H22N2O4/c1-28-19-14-8-6-12-17(19)24(30)22(26(28)32)21(16-10-4-3-5-11-16)23-25(31)18-13-7-9-15-20(18)29(2)27(23)33/h3-15,21,30-31H,1-2H3
InChIKeyNQWMMPBLNCXRNP-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.98
Rot. Bonds3

About 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one

4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one (PubChem CID 54687020) has the molecular formula C27H22N2O4 and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one
PubChem CID54687020
Molecular FormulaC27H22N2O4
Molecular Weight438.48 g/mol
Exact Mass438.16
IUPAC Name4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one
SMILESCn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21
InChIInChI=1S/C27H22N2O4/c1-28-19-14-8-6-12-17(19)24(30)22(26(28)32)21(16-10-4-3-5-11-16)23-25(31)18-13-7-9-15-20(18)29(2)27(23)33/h3-15,21,30-31H,1-2H3
InChIKeyNQWMMPBLNCXRNP-UHFFFAOYSA-N
XLogP3.98
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Roquinimex
CID 54676478
Paquinimod
CID 54684617
Zanthobisquinolone
CID 54688597
1-Benzyl-4-hydroxyquinolin-2(1H)-one
CID 54680863
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one
CID 54680431
3-Benzylquinoline-2,4-diol
CID 54680363
3-Benzyl-4-hydroxy-1-methylquinolin-2(1H)-one
CID 54705756
3-acetyl-1-cyclohexyl-4-hydroxy-2(1H)-quinolinone
CID 54679413
7-hydroxy-6-phenyl-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-5-one
CID 54693395
3-acetyl-1-benzyl-4-hydroxy-2(1H)-quinolinone
CID 54683807
4-Hydroxy-1,3-diphenylquinolin-2(1H)-one
CID 54687868
3-benzoyl-4-hydroxy-1-methyl-2(1H)-quinolinone
CID 135432569

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one?
The IUPAC name of 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one (CID 54687020) is 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one is Cn1c(=O)c(C(c2ccccc2)c2c(O)c3ccccc3n(C)c2=O)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one?
The InChIKey is NQWMMPBLNCXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4/c1-28-19-14-8-6-12-17(19)24(30)22(26(28)32)21(16-10-4-3-5-11-16)23-25(31)18-13-7-9-15-20(18)29(2)27(23)33/h3-15,21,30-31H,1-2H3.
What are the key properties of 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one?
4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one has a molecular weight of 438.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-phenylmethyl]-1-methylquinolin-2-one is sourced from PubChem (CID 54687020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).