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

C21H20Cl2N4O2 — CID 74382249

IUPAC2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1c(Cl)ccc2nc(N3CCC(O)C3)ccc12
InChIInChI=1S/C21H20Cl2N4O2/c22-13-1-3-14(4-2-13)24-11-20(29)26-21-16-5-8-19(27-10-9-15(28)12-27)25-18(16)7-6-17(21)23/h1-8,15,24,28H,9-12H2,(H,26,29)
InChIKeyUKEGWRBHXAHRLL-UHFFFAOYSA-N
MW431.32 g/mol
LogP4.16
Rot. Bonds5

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

2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide (PubChem CID 74382249) has the molecular formula C21H20Cl2N4O2 and a molecular weight of 431.32 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
PubChem CID74382249
Molecular FormulaC21H20Cl2N4O2
Molecular Weight431.32 g/mol
Exact Mass430.10
IUPAC Name2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide
SMILESO=C(CNc1ccc(Cl)cc1)Nc1c(Cl)ccc2nc(N3CCC(O)C3)ccc12
InChIInChI=1S/C21H20Cl2N4O2/c22-13-1-3-14(4-2-13)24-11-20(29)26-21-16-5-8-19(27-10-9-15(28)12-27)25-18(16)7-6-17(21)23/h1-8,15,24,28H,9-12H2,(H,26,29)
InChIKeyUKEGWRBHXAHRLL-UHFFFAOYSA-N
XLogP4.16
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.32
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]quinolin-5-yl]-2-(4-fluoroanilino)acetamide
CID 24995088
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
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
N-[2-[(3S)-3-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]piperidin-1-yl]-6-chloroquinolin-5-yl]-2-cyclohexylacetamide
CID 68808571
1-(7-chloroquinolin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048451
N-[3-chloro-6-(3-fluoropyrrolidin-1-yl)-1,5-naphthyridin-4-yl]-3-hydroxypyrrolidine-1-carboxamide
CID 166749982
6-chloro-2-[(3S)-3-(2-hydroxypropyl)pyrrolidin-1-yl]quinoline-5-carboxylic acid
CID 118559729
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide?
The IUPAC name of 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide (CID 74382249) is 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide is O=C(CNc1ccc(Cl)cc1)Nc1c(Cl)ccc2nc(N3CCC(O)C3)ccc12.
What is the InChIKey of 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide?
The InChIKey is UKEGWRBHXAHRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O2/c22-13-1-3-14(4-2-13)24-11-20(29)26-21-16-5-8-19(27-10-9-15(28)12-27)25-18(16)7-6-17(21)23/h1-8,15,24,28H,9-12H2,(H,26,29).
What are the key properties of 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide?
2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide has a molecular weight of 431.32 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]acetamide is sourced from PubChem (CID 74382249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).