N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide

C19H14Cl2N4O3 — CID 53141757

IUPACN-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1Cl
InChIInChI=1S/C19H14Cl2N4O3/c1-28-16-5-3-11(7-14(16)21)23-17(26)9-25-19(27)13-8-22-15-4-2-10(20)6-12(15)18(13)24-25/h2-8,24H,9H2,1H3,(H,23,26)
InChIKeyMFKKPMUFIJZSLV-UHFFFAOYSA-N
MW417.25 g/mol
LogP3.83
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide (PubChem CID 53141757) has the molecular formula C19H14Cl2N4O3 and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide
PubChem CID53141757
Molecular FormulaC19H14Cl2N4O3
Molecular Weight417.25 g/mol
Exact Mass416.04
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1Cl
InChIInChI=1S/C19H14Cl2N4O3/c1-28-16-5-3-11(7-14(16)21)23-17(26)9-25-19(27)13-8-22-15-4-2-10(20)6-12(15)18(13)24-25/h2-8,24H,9H2,1H3,(H,23,26)
InChIKeyMFKKPMUFIJZSLV-UHFFFAOYSA-N
XLogP3.83
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

2-(8-fluoro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53141723
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CID 53116285
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4903088
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
6-chloro-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]quinazolin-4-one
CID 8506237
N-(3-chloro-4-methoxyphenyl)-2-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)acetamide
CID 20893997
ethyl 1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-methylsulfanyl-6-oxopyrimidine-5-carboxylate
CID 7748485
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
2-(5-chloro-2-methoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 109008877
N-(3-chloro-4-methoxyphenyl)-2-[(4S)-4-(4-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]acetamide
CID 99743551

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide (CID 53141757) is N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide is COc1ccc(NC(=O)Cn2[nH]c3c(cnc4ccc(Cl)cc43)c2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide?
The InChIKey is MFKKPMUFIJZSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N4O3/c1-28-16-5-3-11(7-14(16)21)23-17(26)9-25-19(27)13-8-22-15-4-2-10(20)6-12(15)18(13)24-25/h2-8,24H,9H2,1H3,(H,23,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide has a molecular weight of 417.25 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(8-chloro-3-oxo-1H-pyrazolo[4,3-c]quinolin-2-yl)acetamide is sourced from PubChem (CID 53141757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).