N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide

C22H20ClFN2O2 — CID 174582553

IUPACN-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide
SMILESO=CN(c1cccc(Cl)c1)C1(Cc2cc(=O)[nH]c3c(F)cccc23)CCCC1
InChIInChI=1S/C22H20ClFN2O2/c23-16-5-3-6-17(12-16)26(14-27)22(9-1-2-10-22)13-15-11-20(28)25-21-18(15)7-4-8-19(21)24/h3-8,11-12,14H,1-2,9-10,13H2,(H,25,28)
InChIKeyFLQLOMLUQMXJHS-UHFFFAOYSA-N
MW398.87 g/mol
LogP4.84
Rot. Bonds5

About N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide

N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide (PubChem CID 174582553) has the molecular formula C22H20ClFN2O2 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide
PubChem CID174582553
Molecular FormulaC22H20ClFN2O2
Molecular Weight398.87 g/mol
Exact Mass398.12
IUPAC NameN-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide
SMILESO=CN(c1cccc(Cl)c1)C1(Cc2cc(=O)[nH]c3c(F)cccc23)CCCC1
InChIInChI=1S/C22H20ClFN2O2/c23-16-5-3-6-17(12-16)26(14-27)22(9-1-2-10-22)13-15-11-20(28)25-21-18(15)7-4-8-19(21)24/h3-8,11-12,14H,1-2,9-10,13H2,(H,25,28)
InChIKeyFLQLOMLUQMXJHS-UHFFFAOYSA-N
XLogP4.84
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide?
The IUPAC name of N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide (CID 174582553) is N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide.
What is the SMILES notation for N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide?
The canonical SMILES for N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide is O=CN(c1cccc(Cl)c1)C1(Cc2cc(=O)[nH]c3c(F)cccc23)CCCC1.
What is the InChIKey of N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide?
The InChIKey is FLQLOMLUQMXJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2/c23-16-5-3-6-17(12-16)26(14-27)22(9-1-2-10-22)13-15-11-20(28)25-21-18(15)7-4-8-19(21)24/h3-8,11-12,14H,1-2,9-10,13H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide?
N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide has a molecular weight of 398.87 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-N-[1-[(8-fluoro-2-oxo-1H-quinolin-4-yl)methyl]cyclopentyl]formamide is sourced from PubChem (CID 174582553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).