N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide

C24H23N5O6 — CID 3413008

IUPACN-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc12
InChIInChI=1S/C24H23N5O6/c1-35-21-15-20(26-19-6-3-2-5-18(19)21)24(32)28-14-4-13-27(28)22(30)11-12-25-23(31)16-7-9-17(10-8-16)29(33)34/h2-3,5-10,15H,4,11-14H2,1H3,(H,25,31)
InChIKeyIYUZTWUKJGHMCD-UHFFFAOYSA-N
MW477.48 g/mol
LogP2.56
Rot. Bonds7

About N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide

N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide (PubChem CID 3413008) has the molecular formula C24H23N5O6 and a molecular weight of 477.48 g/mol. Its IUPAC name is N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
PubChem CID3413008
Molecular FormulaC24H23N5O6
Molecular Weight477.48 g/mol
Exact Mass477.16
IUPAC NameN-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
SMILESCOc1cc(C(=O)N2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc12
InChIInChI=1S/C24H23N5O6/c1-35-21-15-20(26-19-6-3-2-5-18(19)21)24(32)28-14-4-13-27(28)22(30)11-12-25-23(31)16-7-9-17(10-8-16)29(33)34/h2-3,5-10,15H,4,11-14H2,1H3,(H,25,31)
InChIKeyIYUZTWUKJGHMCD-UHFFFAOYSA-N
XLogP2.56
TPSA134.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-N-methyl-4-oxobutanamide
CID 3783080
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 3693938
N-[3-[2-[2-(2-methyl-1H-indol-3-yl)acetyl]pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide
CID 3260115
[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 3274641
ethyl 2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxylate
CID 4596963
1-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 3869492
N-[(4-fluorophenyl)methyl]-2-(4-methoxyquinoline-2-carbonyl)pyrazolidine-1-carboxamide
CID 3282085
4-nitro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 7964038
(2,6-dimethoxyphenyl) 3-[(4-nitrobenzoyl)amino]propanoate
CID 7698716
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250
(4-methoxyquinolin-2-yl)-[2-(4-methylthiadiazole-5-carbonyl)pyrazolidin-1-yl]methanone
CID 3835128
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-4-methoxyquinoline-2-carboxamide
CID 11417658

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The IUPAC name of N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide (CID 3413008) is N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide.
What is the SMILES notation for N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The canonical SMILES for N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide is COc1cc(C(=O)N2CCCN2C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc12.
What is the InChIKey of N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
The InChIKey is IYUZTWUKJGHMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O6/c1-35-21-15-20(26-19-6-3-2-5-18(19)21)24(32)28-14-4-13-27(28)22(30)11-12-25-23(31)16-7-9-17(10-8-16)29(33)34/h2-3,5-10,15H,4,11-14H2,1H3,(H,25,31).
What are the key properties of N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide?
N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide has a molecular weight of 477.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]-3-oxopropyl]-4-nitrobenzamide is sourced from PubChem (CID 3413008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).