6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide

C20H21ClN6O3 — CID 166210561

IUPAC6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)n2)CC1
InChIInChI=1S/C20H21ClN6O3/c1-25-6-8-26(9-7-25)19(29)12-27-5-4-17(24-27)23-20(30)15-11-18(28)22-16-3-2-13(21)10-14(15)16/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,24,30)
InChIKeyXTGUKFLZVCYDDZ-UHFFFAOYSA-N
MW428.88 g/mol
LogP1.40
Rot. Bonds4

About 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide

6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 166210561) has the molecular formula C20H21ClN6O3 and a molecular weight of 428.88 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID166210561
Molecular FormulaC20H21ClN6O3
Molecular Weight428.88 g/mol
Exact Mass428.14
IUPAC Name6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)n2)CC1
InChIInChI=1S/C20H21ClN6O3/c1-25-6-8-26(9-7-25)19(29)12-27-5-4-17(24-27)23-20(30)15-11-18(28)22-16-3-2-13(21)10-14(15)16/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,24,30)
InChIKeyXTGUKFLZVCYDDZ-UHFFFAOYSA-N
XLogP1.40
TPSA103.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 166211812
1-methyl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxoquinoline-4-carboxamide
CID 167775582
6-chloro-N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167788830
6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide
CID 167868377
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 113211930
2-indol-1-yl-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]acetamide
CID 166210562
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
2-(3-aminopyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 54594517
2-[3-[(2,6-dimethylphenyl)methylamino]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 75515496
N-(5-acetyl-2-hydroxyphenyl)-6-chloro-2-oxo-1H-quinoline-4-carboxamide
CID 167977825
N-(5-chloro-2-pyridinyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 35271440
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496248

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide (CID 166210561) is 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide is CN1CCN(C(=O)Cn2ccc(NC(=O)c3cc(=O)[nH]c4ccc(Cl)cc34)n2)CC1.
What is the InChIKey of 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is XTGUKFLZVCYDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN6O3/c1-25-6-8-26(9-7-25)19(29)12-27-5-4-17(24-27)23-20(30)15-11-18(28)22-16-3-2-13(21)10-14(15)16/h2-5,10-11H,6-9,12H2,1H3,(H,22,28)(H,23,24,30).
What are the key properties of 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide?
6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 428.88 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazol-3-yl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 166210561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).