3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one

C26H19NO4 — CID 59527462

IUPAC3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
SMILESCc1c(COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C26H19NO4/c1-16-22(27-21-10-6-5-9-19(21)26(16)29)15-30-18-11-12-20-23(28)14-24(31-25(20)13-18)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,29)
InChIKeyWDPPYPBEQVUHDN-UHFFFAOYSA-N
MW409.44 g/mol
LogP5.19
Rot. Bonds4

About 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one

3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one (PubChem CID 59527462) has the molecular formula C26H19NO4 and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
PubChem CID59527462
Molecular FormulaC26H19NO4
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC Name3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one
SMILESCc1c(COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)[nH]c2ccccc2c1=O
InChIInChI=1S/C26H19NO4/c1-16-22(27-21-10-6-5-9-19(21)26(16)29)15-30-18-11-12-20-23(28)14-24(31-25(20)13-18)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,29)
InChIKeyWDPPYPBEQVUHDN-UHFFFAOYSA-N
XLogP5.19
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one?
The IUPAC name of 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one (CID 59527462) is 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one?
The canonical SMILES for 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one is Cc1c(COc2ccc3c(=O)cc(-c4ccccc4)oc3c2)[nH]c2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one?
The InChIKey is WDPPYPBEQVUHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO4/c1-16-22(27-21-10-6-5-9-19(21)26(16)29)15-30-18-11-12-20-23(28)14-24(31-25(20)13-18)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,27,29).
What are the key properties of 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one?
3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one has a molecular weight of 409.44 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-oxo-2-phenylchromen-7-yl)oxymethyl]-1H-quinolin-4-one is sourced from PubChem (CID 59527462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).