2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide

C27H25BrN2O — CID 10310871

IUPAC2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)Cc1ccccc1Br
InChIInChI=1S/C27H25BrN2O/c1-2-16-30(27(31)18-21-12-6-8-14-24(21)28)19-22-17-26(20-10-4-3-5-11-20)29-25-15-9-7-13-23(22)25/h3-15,17H,2,16,18-19H2,1H3
InChIKeyFEKAIPQVSZHLBX-UHFFFAOYSA-N
MW473.41 g/mol
LogP6.65
Rot. Bonds7

About 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide

2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide (PubChem CID 10310871) has the molecular formula C27H25BrN2O and a molecular weight of 473.41 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide
PubChem CID10310871
Molecular FormulaC27H25BrN2O
Molecular Weight473.41 g/mol
Exact Mass472.12
IUPAC Name2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide
SMILESCCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)Cc1ccccc1Br
InChIInChI=1S/C27H25BrN2O/c1-2-16-30(27(31)18-21-12-6-8-14-24(21)28)19-22-17-26(20-10-4-3-5-11-20)29-25-15-9-7-13-23(22)25/h3-15,17H,2,16,18-19H2,1H3
InChIKeyFEKAIPQVSZHLBX-UHFFFAOYSA-N
XLogP6.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-N-[(2-phenylquinolin-4-yl)methyl]-N-propylnaphthalene-1-carboxamide
CID 10311421
2-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)quinoline-4-carboxamide
CID 55661695
1-(2-methylphenyl)-2-(2-phenylquinolin-4-yl)ethanone
CID 135034333
N-butyl-N-methyl-2-phenylquinoline-4-carboxamide
CID 27702629
N,N-dibutyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4091106
N,N-dipropylacridine-9-carboxamide
CID 170440983
2-[2-(dipropylamino)-2-oxoethyl]benzoic acid
CID 112568579
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
deuterio-(2-phenylquinolin-4-yl)methanol
CID 88591215
2-(2-bromophenyl)-N-[2-(dipropylamino)-2-oxoethyl]acetamide
CID 112995770
ethanol;bis(europium(3+));hexakis(2-phenylquinoline-4-carboxylate)
CID 139141812

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide (CID 10310871) is 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide is CCCN(Cc1cc(-c2ccccc2)nc2ccccc12)C(=O)Cc1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide?
The InChIKey is FEKAIPQVSZHLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25BrN2O/c1-2-16-30(27(31)18-21-12-6-8-14-24(21)28)19-22-17-26(20-10-4-3-5-11-20)29-25-15-9-7-13-23(22)25/h3-15,17H,2,16,18-19H2,1H3.
What are the key properties of 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide?
2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide has a molecular weight of 473.41 g/mol, XLogP of 6.65, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[(2-phenylquinolin-4-yl)methyl]-N-propylacetamide is sourced from PubChem (CID 10310871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).