8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide

C24H23BrN2O3 — CID 146252297

IUPAC8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cnc2c(Br)cccc2c1C1CCOCC1
InChIInChI=1S/C24H23BrN2O3/c25-19-6-3-5-17-22(15-8-11-29-12-9-15)18(14-26-23(17)19)24(28)27-20-10-13-30-21-7-2-1-4-16(20)21/h1-7,14-15,20H,8-13H2,(H,27,28)
InChIKeyBIUZKJNKPGTVBV-UHFFFAOYSA-N
MW467.36 g/mol
LogP5.14
Rot. Bonds3

About 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide

8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide (PubChem CID 146252297) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
PubChem CID146252297
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC Name8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1cnc2c(Br)cccc2c1C1CCOCC1
InChIInChI=1S/C24H23BrN2O3/c25-19-6-3-5-17-22(15-8-11-29-12-9-15)18(14-26-23(17)19)24(28)27-20-10-13-30-21-7-2-1-4-16(20)21/h1-7,14-15,20H,8-13H2,(H,27,28)
InChIKeyBIUZKJNKPGTVBV-UHFFFAOYSA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.36
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-7-fluoroquinoline-3-carboxamide
CID 134497953
N-(3,4-dihydro-2H-chromen-4-yl)-7-fluoro-4-(3-fluorocyclobutyl)-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 167506426
N-(3,4-dihydro-2H-chromen-4-yl)-4-(dimethylamino)-8-(3-methoxyprop-1-ynyl)quinoline-3-carboxamide
CID 137462490
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-sulfonamide
CID 150542677
4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-(2,3,5-trifluorophenyl)quinoline-3-carboxamide
CID 134502143
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-morpholin-4-ylquinoline-4-carboxamide
CID 92614865
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
8-(cyclohepten-1-yl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)quinoline-3-carboxamide
CID 137462474
8-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 137371842

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide?
The IUPAC name of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide (CID 146252297) is 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide is O=C(NC1CCOc2ccccc21)c1cnc2c(Br)cccc2c1C1CCOCC1.
What is the InChIKey of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide?
The InChIKey is BIUZKJNKPGTVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c25-19-6-3-5-17-22(15-8-11-29-12-9-15)18(14-26-23(17)19)24(28)27-20-10-13-30-21-7-2-1-4-16(20)21/h1-7,14-15,20H,8-13H2,(H,27,28).
What are the key properties of 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide?
8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide has a molecular weight of 467.36 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-4-(oxan-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 146252297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).