N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C21H19BrN4O3 — CID 33173069

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)Nc3ccnn3Cc3ccc(Br)cc3)ccc2N1
InChIInChI=1S/C21H19BrN4O3/c22-16-4-1-14(2-5-16)12-26-19(9-10-23-26)25-21(28)13-29-17-6-7-18-15(11-17)3-8-20(27)24-18/h1-2,4-7,9-11H,3,8,12-13H2,(H,24,27)(H,25,28)
InChIKeyHAAGCGVVXQRDMT-UHFFFAOYSA-N
MW455.31 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 33173069) has the molecular formula C21H19BrN4O3 and a molecular weight of 455.31 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID33173069
Molecular FormulaC21H19BrN4O3
Molecular Weight455.31 g/mol
Exact Mass454.06
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESO=C1CCc2cc(OCC(=O)Nc3ccnn3Cc3ccc(Br)cc3)ccc2N1
InChIInChI=1S/C21H19BrN4O3/c22-16-4-1-14(2-5-16)12-26-19(9-10-23-26)25-21(28)13-29-17-6-7-18-15(11-17)3-8-20(27)24-18/h1-2,4-7,9-11H,3,8,12-13H2,(H,24,27)(H,25,28)
InChIKeyHAAGCGVVXQRDMT-UHFFFAOYSA-N
XLogP3.60
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 43055897
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(4-cyanophenoxy)acetamide
CID 7504756
N-[1-(4-bromophenyl)ethyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55528214
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 78826203
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-ethyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 47157896
N-naphthalen-2-yl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 36507480
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55571752
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
2-(4-bromophenoxy)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 35673635
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 9168457

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 33173069) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is O=C1CCc2cc(OCC(=O)Nc3ccnn3Cc3ccc(Br)cc3)ccc2N1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is HAAGCGVVXQRDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O3/c22-16-4-1-14(2-5-16)12-26-19(9-10-23-26)25-21(28)13-29-17-6-7-18-15(11-17)3-8-20(27)24-18/h1-2,4-7,9-11H,3,8,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 455.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 33173069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).