N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

C22H22BrN3O2 — CID 162650633

IUPACN-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27)
InChIKeyKVMODRYUIDNHKE-UHFFFAOYSA-N
MW440.34 g/mol
LogP4.29
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide

N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (PubChem CID 162650633) has the molecular formula C22H22BrN3O2 and a molecular weight of 440.34 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
PubChem CID162650633
Molecular FormulaC22H22BrN3O2
Molecular Weight440.34 g/mol
Exact Mass439.09
IUPAC NameN-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
SMILESO=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(Br)cc1
InChIInChI=1S/C22H22BrN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27)
InChIKeyKVMODRYUIDNHKE-UHFFFAOYSA-N
XLogP4.29
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570656
N-[(4-methylsulfonylphenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 162652375
N-(4-ethylphenyl)-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide
CID 18570644
N-benzyl-2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]quinolin-8-yl]oxyacetamide
CID 16812643
N-(4-acetamidophenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 16826739
2-(2-pyrrolidin-1-ylquinolin-8-yl)oxy-N-[4-(trifluoromethyl)phenyl]acetamide
CID 27555622
N-(4-acetylphenyl)-2-(2-piperidin-1-ylquinolin-8-yl)oxyacetamide
CID 20933073
N-(3,5-dimethylphenyl)-2-[2-[(3R)-3-methylpiperidin-1-yl]quinolin-8-yl]oxyacetamide
CID 27476098
N-benzyl-2-[2-(diethylamino)quinolin-8-yl]oxyacetamide
CID 162675843
1-[8-[2-(4-chloroanilino)-2-oxoethoxy]quinolin-2-yl]piperidine-4-carboxamide
CID 20933082
N-(2-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)quinolin-8-yl]oxyacetamide
CID 16812630
2-(2,5-dichlorophenoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 37481539

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide (CID 162650633) is N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is O=C(COc1cccc2ccc(N3CCCC3)nc12)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
The InChIKey is KVMODRYUIDNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrN3O2/c23-18-9-6-16(7-10-18)14-24-21(27)15-28-19-5-3-4-17-8-11-20(25-22(17)19)26-12-1-2-13-26/h3-11H,1-2,12-15H2,(H,24,27).
What are the key properties of N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide?
N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide has a molecular weight of 440.34 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-(2-pyrrolidin-1-ylquinolin-8-yl)oxyacetamide is sourced from PubChem (CID 162650633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).