(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C20H20N4O2 — CID 128980286

IUPAC(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCOc1cccc2c(N[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)ccnc12
InChIInChI=1S/C20H20N4O2/c1-24-18(25)11-16(20(24)13-5-4-9-21-12-13)23-15-8-10-22-19-14(15)6-3-7-17(19)26-2/h3-10,12,16,20H,11H2,1-2H3,(H,22,23)/t16-,20+/m1/s1
InChIKeyHXNYHDIBCOIJGU-UZLBHIALSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds4

About (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 128980286) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID128980286
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCOc1cccc2c(N[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)ccnc12
InChIInChI=1S/C20H20N4O2/c1-24-18(25)11-16(20(24)13-5-4-9-21-12-13)23-15-8-10-22-19-14(15)6-3-7-17(19)26-2/h3-10,12,16,20H,11H2,1-2H3,(H,22,23)/t16-,20+/m1/s1
InChIKeyHXNYHDIBCOIJGU-UZLBHIALSA-N
XLogP3.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one with MolForge

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Related Compounds

3-Butyryl-4-(2-methylphenylamino)-8-methoxyquinoline
CID 3081087
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptanamide
CID 11504245
Quinolinium, 8-methoxy-1-methyl-4-(p-((p-((1-methylpyridinium-4-yl)amino)phenyl)carbamoyl)anilino)-, dibromide
CID 206462
N-[2-(quinolin-8-yloxy)ethyl]acetamide
CID 3104609
N-[2-[(2S)-2-[2-[(3-methoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164616722
N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
1-[3-(1H-Indol-3-yl)-1-oxopropyl]-4-(2-methoxyphenyl)piperazine
CID 4241337
3-Butyryl-4-(2-methylphenylamino)-8-(3-(1-pyrrolidinyl)propoxy)quinoline
CID 10388048
7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
cyclohexanecarboxylic acid{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-amide
CID 44190263

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 128980286) is (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is COc1cccc2c(N[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)ccnc12.
What is the InChIKey of (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is HXNYHDIBCOIJGU-UZLBHIALSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-24-18(25)11-16(20(24)13-5-4-9-21-12-13)23-15-8-10-22-19-14(15)6-3-7-17(19)26-2/h3-10,12,16,20H,11H2,1-2H3,(H,22,23)/t16-,20+/m1/s1.
What are the key properties of (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 348.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(8-methoxyquinolin-4-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 128980286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).