N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

C21H19ClN4O3 — CID 55571752

IUPACN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H19ClN4O3/c1-13-9-19(26(25-13)16-4-2-3-15(22)11-16)24-21(28)12-29-17-6-7-18-14(10-17)5-8-20(27)23-18/h2-4,6-7,9-11H,5,8,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyBNJAJGMEPVVMGI-UHFFFAOYSA-N
MW410.86 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (PubChem CID 55571752) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
PubChem CID55571752
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H19ClN4O3/c1-13-9-19(26(25-13)16-4-2-3-15(22)11-16)24-21(28)12-29-17-6-7-18-14(10-17)5-8-20(27)23-18/h2-4,6-7,9-11H,5,8,12H2,1H3,(H,23,27)(H,24,28)
InChIKeyBNJAJGMEPVVMGI-UHFFFAOYSA-N
XLogP3.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
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-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(4-methylphenoxy)acetamide
CID 135880920
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 33173069
N-[2-[1-(3-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-(4-fluorophenoxy)acetamide
CID 135880922
N-methyl-2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]benzamide
CID 24670388
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-(3-methylphenoxy)acetamide
CID 55377416
N-[4-(2-methoxyethoxy)phenyl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide
CID 55658148
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 35534820
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide (CID 55571752) is N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is Cc1cc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
The InChIKey is BNJAJGMEPVVMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c1-13-9-19(26(25-13)16-4-2-3-15(22)11-16)24-21(28)12-29-17-6-7-18-14(10-17)5-8-20(27)23-18/h2-4,6-7,9-11H,5,8,12H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide?
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide has a molecular weight of 410.86 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetamide is sourced from PubChem (CID 55571752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).