3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

C21H24N4O — CID 124556492

IUPAC3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc(NC[C@H]2CCN(Cc3cc4ccccc4[nH]c3=O)C2)n1
InChIInChI=1S/C21H24N4O/c1-15-5-4-8-20(23-15)22-12-16-9-10-25(13-16)14-18-11-17-6-2-3-7-19(17)24-21(18)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,23)(H,24,26)/t16-/m1/s1
InChIKeyGFNJOGZZPJWKOR-MRXNPFEDSA-N
MW348.45 g/mol
LogP3.17
Rot. Bonds5

About 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one

3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 124556492) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID124556492
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
SMILESCc1cccc(NC[C@H]2CCN(Cc3cc4ccccc4[nH]c3=O)C2)n1
InChIInChI=1S/C21H24N4O/c1-15-5-4-8-20(23-15)22-12-16-9-10-25(13-16)14-18-11-17-6-2-3-7-19(17)24-21(18)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,23)(H,24,26)/t16-/m1/s1
InChIKeyGFNJOGZZPJWKOR-MRXNPFEDSA-N
XLogP3.17
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-methyl-N-[[(3R)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124614682
6-methyl-N-[[(3S)-1-propylpyrrolidin-3-yl]methyl]pyridin-2-amine
CID 95146703
3-[[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028928
6-methyl-N-[[(3S)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 124595699
1-ethyl-3-[[(3R)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198921
1-ethyl-3-[[(3S)-1-[(2-oxo-1H-quinolin-3-yl)methyl]piperidin-3-yl]methyl]urea
CID 95198920
3-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 110019820
5,5-dimethyl-3-[2-[3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 86773963
N-[[1-[(3-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 131963797
1-[2-[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]ethyl]pyrrolidin-2-one
CID 95143523
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyridin-2-amine
CID 86773957
3-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56747678

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one (CID 124556492) is 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is Cc1cccc(NC[C@H]2CCN(Cc3cc4ccccc4[nH]c3=O)C2)n1.
What is the InChIKey of 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is GFNJOGZZPJWKOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-5-4-8-20(23-15)22-12-16-9-10-25(13-16)14-18-11-17-6-2-3-7-19(17)24-21(18)26/h2-8,11,16H,9-10,12-14H2,1H3,(H,22,23)(H,24,26)/t16-/m1/s1.
What are the key properties of 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 124556492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).