1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone

C19H19NO4 — CID 144809290

IUPAC1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C19H19NO4/c1-11-3-4-14-9-13(12(2)21)5-8-17(14)20(11)19(24)16-7-6-15(22)10-18(16)23/h5-11,22-23H,3-4H2,1-2H3
InChIKeySTMCDELBTREBRQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.28
Rot. Bonds2

About 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone

1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone (PubChem CID 144809290) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone
PubChem CID144809290
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O
InChIInChI=1S/C19H19NO4/c1-11-3-4-14-9-13(12(2)21)5-8-17(14)20(11)19(24)16-7-6-15(22)10-18(16)23/h5-11,22-23H,3-4H2,1-2H3
InChIKeySTMCDELBTREBRQ-UHFFFAOYSA-N
XLogP3.28
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The IUPAC name of 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone (CID 144809290) is 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone.
What is the SMILES notation for 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The canonical SMILES for 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone is CC(=O)c1ccc2c(c1)CCC(C)N2C(=O)c1ccc(O)cc1O.
What is the InChIKey of 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone?
The InChIKey is STMCDELBTREBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-3-4-14-9-13(12(2)21)5-8-17(14)20(11)19(24)16-7-6-15(22)10-18(16)23/h5-11,22-23H,3-4H2,1-2H3.
What are the key properties of 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone?
1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone has a molecular weight of 325.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dihydroxybenzoyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]ethanone is sourced from PubChem (CID 144809290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).