4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

C20H19BrN2O2 — CID 20896805

IUPAC4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-7-9-16(21)10-8-14)12-15-11-19(24)22-18-6-4-3-5-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyHZEAZNDZQDBBFP-UHFFFAOYSA-N
MW399.29 g/mol
LogP4.34
Rot. Bonds4

About 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide

4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 20896805) has the molecular formula C20H19BrN2O2 and a molecular weight of 399.29 g/mol. Its IUPAC name is 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID20896805
Molecular FormulaC20H19BrN2O2
Molecular Weight399.29 g/mol
Exact Mass398.06
IUPAC Name4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-7-9-16(21)10-8-14)12-15-11-19(24)22-18-6-4-3-5-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24)
InChIKeyHZEAZNDZQDBBFP-UHFFFAOYSA-N
XLogP4.34
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide (CID 20896805) is 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is HZEAZNDZQDBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O2/c1-13(2)23(20(25)14-7-9-16(21)10-8-14)12-15-11-19(24)22-18-6-4-3-5-17(15)18/h3-11,13H,12H2,1-2H3,(H,22,24).
What are the key properties of 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide?
4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 399.29 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 20896805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).