3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one

C18H25N3O2 — CID 128981506

IUPAC3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
SMILESCO[C@H]1C[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)N(C)C1
InChIInChI=1S/C18H25N3O2/c1-20(11-15-9-16(23-3)12-21(15)2)10-14-8-13-6-4-5-7-17(13)19-18(14)22/h4-8,15-16H,9-12H2,1-3H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyICOBLKVUZHSOCB-HOTGVXAUSA-N
MW315.42 g/mol
LogP1.68
Rot. Bonds5

About 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one

3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one (PubChem CID 128981506) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
PubChem CID128981506
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
SMILESCO[C@H]1C[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)N(C)C1
InChIInChI=1S/C18H25N3O2/c1-20(11-15-9-16(23-3)12-21(15)2)10-14-8-13-6-4-5-7-17(13)19-18(14)22/h4-8,15-16H,9-12H2,1-3H3,(H,19,22)/t15-,16-/m0/s1
InChIKeyICOBLKVUZHSOCB-HOTGVXAUSA-N
XLogP1.68
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl-methylamino]methyl]-1H-quinolin-2-one
CID 131927078
6-ethoxy-3-[[methyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95226225
7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95388340
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
3-[[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 154765192
3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56703217
1-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylmethanamine
CID 128984497
N-ethyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 945290
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[(N-ethyl-4-methoxyanilino)methyl]-1H-quinolin-2-one
CID 23607643
N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-N-methyl-2-phenylethanesulfonamide
CID 128975380

Frequently Asked Questions

What is the IUPAC name of 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one (CID 128981506) is 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one is CO[C@H]1C[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)N(C)C1.
What is the InChIKey of 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is ICOBLKVUZHSOCB-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-20(11-15-9-16(23-3)12-21(15)2)10-14-8-13-6-4-5-7-17(13)19-18(14)22/h4-8,15-16H,9-12H2,1-3H3,(H,19,22)/t15-,16-/m0/s1.
What are the key properties of 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one?
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 128981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).