N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide

C21H20ClFN4O2 — CID 24995088

IUPACN-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12
InChIInChI=1S/C21H20ClFN4O2/c22-17-6-7-18-16(5-8-19(25-18)27-10-9-15(28)12-27)21(17)26-20(29)11-24-14-3-1-13(23)2-4-14/h1-8,15,24,28H,9-12H2,(H,26,29)/t15-/m1/s1
InChIKeyFIVQCOYSOIKUNQ-OAHLLOKOSA-N
MW414.87 g/mol
LogP3.65
Rot. Bonds5

About N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide

N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide (PubChem CID 24995088) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
PubChem CID24995088
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC NameN-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
SMILESO=C(CNc1ccc(F)cc1)Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12
InChIInChI=1S/C21H20ClFN4O2/c22-17-6-7-18-16(5-8-19(25-18)27-10-9-15(28)12-27)21(17)26-20(29)11-24-14-3-1-13(23)2-4-14/h1-8,15,24,28H,9-12H2,(H,26,29)/t15-/m1/s1
InChIKeyFIVQCOYSOIKUNQ-OAHLLOKOSA-N
XLogP3.65
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide with MolForge

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Related Compounds

2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
CID 74382249
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 11222925
N-(6-chloro-2-piperidin-1-ylquinolin-5-yl)-2-cyclohexylacetamide
CID 142972253
ethyl 1-[5-[[2-(1-adamantyl)acetyl]amino]-6-chloroquinolin-2-yl]piperidine-4-carboxylate
CID 86621833
1-[5-chloro-6-(hydroxymethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 62943778
N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 166749982
N-[2-[(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]piperidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 68808571
N-(4-fluorophenyl)-N'-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]butanediamide
CID 15995206
6-chloro-N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-[(3S)-3-fluoropyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566652
2-(2,6-dichloroanilino)-N-(4-fluorophenyl)acetamide
CID 65469582
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118559729
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide (CID 24995088) is N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide is O=C(CNc1ccc(F)cc1)Nc1c(Cl)ccc2nc(N3CC[C@@H](O)C3)ccc12.
What is the InChIKey of N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide?
The InChIKey is FIVQCOYSOIKUNQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-17-6-7-18-16(5-8-19(25-18)27-10-9-15(28)12-27)21(17)26-20(29)11-24-14-3-1-13(23)2-4-14/h1-8,15,24,28H,9-12H2,(H,26,29)/t15-/m1/s1.
What are the key properties of N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide?
N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide has a molecular weight of 414.87 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 24995088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).