(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one

C20H15NO4 — CID 99991768

IUPAC(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)[C@@H](c1ccc3ncccc3c1)CC(=O)O2
InChIInChI=1S/C20H15NO4/c1-11(22)14-5-7-17-19(20(14)24)15(10-18(23)25-17)12-4-6-16-13(9-12)3-2-8-21-16/h2-9,15,24H,10H2,1H3/t15-/m1/s1
InChIKeySRYXOFDJHVWJBQ-OAHLLOKOSA-N
MW333.34 g/mol
LogP3.58
Rot. Bonds2

About (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one

(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one (PubChem CID 99991768) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
PubChem CID99991768
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
SMILESCC(=O)c1ccc2c(c1O)[C@@H](c1ccc3ncccc3c1)CC(=O)O2
InChIInChI=1S/C20H15NO4/c1-11(22)14-5-7-17-19(20(14)24)15(10-18(23)25-17)12-4-6-16-13(9-12)3-2-8-21-16/h2-9,15,24H,10H2,1H3/t15-/m1/s1
InChIKeySRYXOFDJHVWJBQ-OAHLLOKOSA-N
XLogP3.58
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-acetyl-5-hydroxy-4-phenyl-3,4-dihydrochromen-2-one
CID 99991049
9-quinolin-6-yl-8,9-dihydropyrano[2,3-g][2,1,3]benzothiadiazol-7-one
CID 75489677
5,6,7-trimethoxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one
CID 102564922
(4S)-6-acetyl-5-hydroxy-4-(4-propan-2-yloxyphenyl)-3,4-dihydrochromen-2-one
CID 99990961
(12E)-22-hydroxy-4-methyl-20-quinolin-6-yl-3,17-dioxatricyclo[12.8.0.016,21]docosa-1(22),12,14,16(21)-tetraene-2,8,18-trione
CID 71753892
(10R)-3-(3,4-dimethoxyphenyl)-5-hydroxy-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125122445
(10R)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-10-quinolin-6-yl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99994284
(4R)-6-(4-chlorobenzoyl)-5-hydroxy-4-pyridin-3-yl-3,4-dihydrochromen-2-one
CID 125124023
(4S)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 6540066
(4R)-6-(4-chlorobenzoyl)-5-hydroxy-4-(4-methylsulfanylphenyl)-3,4-dihydrochromen-2-one
CID 125122081
2-[5-[(4S)-6-(4-chlorobenzoyl)-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]-2-methoxyphenoxy]acetamide
CID 125122654
methyl 4-[(4S)-6-(4-chlorobenzoyl)-5-hydroxy-2-oxo-3,4-dihydrochromen-4-yl]benzoate
CID 125122172

Frequently Asked Questions

What is the IUPAC name of (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The IUPAC name of (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one (CID 99991768) is (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The canonical SMILES for (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one is CC(=O)c1ccc2c(c1O)[C@@H](c1ccc3ncccc3c1)CC(=O)O2.
What is the InChIKey of (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
The InChIKey is SRYXOFDJHVWJBQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H15NO4/c1-11(22)14-5-7-17-19(20(14)24)15(10-18(23)25-17)12-4-6-16-13(9-12)3-2-8-21-16/h2-9,15,24H,10H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one?
(4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one has a molecular weight of 333.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-acetyl-5-hydroxy-4-quinolin-6-yl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 99991768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).