2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide

C25H23BrN2O4 — CID 14453135

IUPAC2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O
InChIInChI=1S/C25H23BrN2O4/c1-3-11-28(12-4-2)25(32)14-9-10-15-17(13-14)23(30)19(22(15)29)21-24(31)20(26)16-7-5-6-8-18(16)27-21/h5-10,13,19,31H,3-4,11-12H2,1-2H3
InChIKeyORZLXNFZHASYAM-UHFFFAOYSA-N
MW495.37 g/mol
LogP5.13
Rot. Bonds6

About 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide

2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide (PubChem CID 14453135) has the molecular formula C25H23BrN2O4 and a molecular weight of 495.37 g/mol. Its IUPAC name is 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide
PubChem CID14453135
Molecular FormulaC25H23BrN2O4
Molecular Weight495.37 g/mol
Exact Mass494.08
IUPAC Name2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide
SMILESCCCN(CCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O
InChIInChI=1S/C25H23BrN2O4/c1-3-11-28(12-4-2)25(32)14-9-10-15-17(13-14)23(30)19(22(15)29)21-24(31)20(26)16-7-5-6-8-18(16)27-21/h5-10,13,19,31H,3-4,11-12H2,1-2H3
InChIKeyORZLXNFZHASYAM-UHFFFAOYSA-N
XLogP5.13
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide?
The IUPAC name of 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide (CID 14453135) is 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide.
What is the SMILES notation for 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide?
The canonical SMILES for 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide is CCCN(CCC)C(=O)c1ccc2c(c1)C(=O)C(c1nc3ccccc3c(Br)c1O)C2=O.
What is the InChIKey of 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide?
The InChIKey is ORZLXNFZHASYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN2O4/c1-3-11-28(12-4-2)25(32)14-9-10-15-17(13-14)23(30)19(22(15)29)21-24(31)20(26)16-7-5-6-8-18(16)27-21/h5-10,13,19,31H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide?
2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide has a molecular weight of 495.37 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-hydroxyquinolin-2-yl)-1,3-dioxo-N,N-dipropylindene-5-carboxamide is sourced from PubChem (CID 14453135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).