4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide

C23H22ClN3O3 — CID 56585348

IUPAC4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C23H22ClN3O3/c24-17-9-10-18(19(15-17)27-13-3-8-21(27)28)23(29)26-12-4-14-30-20-7-1-5-16-6-2-11-25-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29)
InChIKeyHAEGFPWTIRSYOH-UHFFFAOYSA-N
MW423.90 g/mol
LogP4.21
Rot. Bonds7

About 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56585348) has the molecular formula C23H22ClN3O3 and a molecular weight of 423.90 g/mol. Its IUPAC name is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56585348
Molecular FormulaC23H22ClN3O3
Molecular Weight423.90 g/mol
Exact Mass423.13
IUPAC Name4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESO=C(NCCCOc1cccc2cccnc12)c1ccc(Cl)cc1N1CCCC1=O
InChIInChI=1S/C23H22ClN3O3/c24-17-9-10-18(19(15-17)27-13-3-8-21(27)28)23(29)26-12-4-14-30-20-7-1-5-16-6-2-11-25-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29)
InChIKeyHAEGFPWTIRSYOH-UHFFFAOYSA-N
XLogP4.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(2-quinolin-8-yloxyethyl)benzamide
CID 113102253
4-chloro-N-[2-(2-fluorophenyl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 39996714
5-chloro-2-pyrrolidin-1-yl-N-(3-quinolin-8-yloxypropyl)pyrimidine-4-carboxamide
CID 56534638
N-[2-(4-chlorophenoxy)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9297806
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
4-chloro-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 34249962
2,4-difluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56585771
4-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 17407479
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]pyridine-3-carbohydrazide
CID 36841106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56585348) is 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide is O=C(NCCCOc1cccc2cccnc12)c1ccc(Cl)cc1N1CCCC1=O.
What is the InChIKey of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is HAEGFPWTIRSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O3/c24-17-9-10-18(19(15-17)27-13-3-8-21(27)28)23(29)26-12-4-14-30-20-7-1-5-16-6-2-11-25-22(16)20/h1-2,5-7,9-11,15H,3-4,8,12-14H2,(H,26,29).
What are the key properties of 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide?
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 423.90 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).