N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C23H21BrN2O3 — CID 24591360

IUPACN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C23H21BrN2O3/c24-18-8-5-15(6-9-18)21-11-10-19(29-21)14-25-22(27)12-7-17-13-16-3-1-2-4-20(16)26-23(17)28/h1-6,8-11,17H,7,12-14H2,(H,25,27)(H,26,28)
InChIKeyXWBSJXOLZDAVKI-UHFFFAOYSA-N
MW453.34 g/mol
LogP4.92
Rot. Bonds6

About N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 24591360) has the molecular formula C23H21BrN2O3 and a molecular weight of 453.34 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID24591360
Molecular FormulaC23H21BrN2O3
Molecular Weight453.34 g/mol
Exact Mass452.07
IUPAC NameN-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C23H21BrN2O3/c24-18-8-5-15(6-9-18)21-11-10-19(29-21)14-25-22(27)12-7-17-13-16-3-1-2-4-20(16)26-23(17)28/h1-6,8-11,17H,7,12-14H2,(H,25,27)(H,26,28)
InChIKeyXWBSJXOLZDAVKI-UHFFFAOYSA-N
XLogP4.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.34
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 24591360) is N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)NCc1ccc(-c2ccc(Br)cc2)o1.
What is the InChIKey of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is XWBSJXOLZDAVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN2O3/c24-18-8-5-15(6-9-18)21-11-10-19(29-21)14-25-22(27)12-7-17-13-16-3-1-2-4-20(16)26-23(17)28/h1-6,8-11,17H,7,12-14H2,(H,25,27)(H,26,28).
What are the key properties of N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 453.34 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 24591360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).