8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one

C21H17NO4 — CID 53359497

IUPAC8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one
SMILESCc1cc(=O)oc2ccc(OCc3cc(=O)[nH]c4c(C)cccc34)cc12
InChIInChI=1S/C21H17NO4/c1-12-4-3-5-16-14(9-19(23)22-21(12)16)11-25-15-6-7-18-17(10-15)13(2)8-20(24)26-18/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyPVVRRNMZCBGBKK-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.83
Rot. Bonds3

About 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one

8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one (PubChem CID 53359497) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one
PubChem CID53359497
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one
SMILESCc1cc(=O)oc2ccc(OCc3cc(=O)[nH]c4c(C)cccc34)cc12
InChIInChI=1S/C21H17NO4/c1-12-4-3-5-16-14(9-19(23)22-21(12)16)11-25-15-6-7-18-17(10-15)13(2)8-20(24)26-18/h3-10H,11H2,1-2H3,(H,22,23)
InChIKeyPVVRRNMZCBGBKK-UHFFFAOYSA-N
XLogP3.83
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-4-methylchromen-2-one
CID 91726871
6-decoxy-4-methylchromen-2-one
CID 3818631
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
7-[(5-fluoroquinolin-8-yl)methoxy]-4-methylchromen-2-one
CID 31905824
4-methyl-6-[(E)-3-(trifluoromethylsulfanyl)prop-2-enoxy]chromen-2-one
CID 166441109
6-[(2-hydroxyanilino)methoxy]-4-methylchromen-2-one
CID 122188453
4-[(3-chlorophenoxy)methyl]-6,7-dimethylchromen-2-one
CID 7858868
6-[3-(diethylamino)-2-hydroxypropoxy]-4-methylchromen-2-one
CID 44578881
N-(3-chlorophenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 930250
[3-[2-(4-methyl-2-oxochromen-6-yl)oxyethylamino]phenyl]boronic acid
CID 142731462
N-(3-ethylphenyl)-2-(4-methyl-2-oxochromen-6-yl)oxyacetamide
CID 906216
7-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-4-methylchromen-2-one
CID 26000081

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one?
The IUPAC name of 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one (CID 53359497) is 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one is Cc1cc(=O)oc2ccc(OCc3cc(=O)[nH]c4c(C)cccc34)cc12.
What is the InChIKey of 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one?
The InChIKey is PVVRRNMZCBGBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-12-4-3-5-16-14(9-19(23)22-21(12)16)11-25-15-6-7-18-17(10-15)13(2)8-20(24)26-18/h3-10H,11H2,1-2H3,(H,22,23).
What are the key properties of 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one?
8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one has a molecular weight of 347.37 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-[(4-methyl-2-oxochromen-6-yl)oxymethyl]-1H-quinolin-2-one is sourced from PubChem (CID 53359497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).