3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one

C21H23N3O — CID 95216100

IUPAC3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)[C@@H](c3ccccn3)C3CC3)cc2c1
InChIInChI=1S/C21H23N3O/c1-14-6-9-18-16(11-14)12-17(21(25)23-18)13-24(2)20(15-7-8-15)19-5-3-4-10-22-19/h3-6,9-12,15,20H,7-8,13H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyZBGJALMCZSWOCY-HXUWFJFHSA-N
MW333.44 g/mol
LogP3.81
Rot. Bonds5

About 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one

3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 95216100) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID95216100
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(CN(C)[C@@H](c3ccccn3)C3CC3)cc2c1
InChIInChI=1S/C21H23N3O/c1-14-6-9-18-16(11-14)12-17(21(25)23-18)13-24(2)20(15-7-8-15)19-5-3-4-10-22-19/h3-6,9-12,15,20H,7-8,13H2,1-2H3,(H,23,25)/t20-/m1/s1
InChIKeyZBGJALMCZSWOCY-HXUWFJFHSA-N
XLogP3.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95219462
2-[3-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]phenyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135896092
6-methyl-3-[[methyl-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56714804
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
3-[[1H-benzimidazol-2-ylmethyl(methyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 56703370
8-chloro-2-[[[(S)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109749
8-chloro-2-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-1H-quinolin-4-one
CID 97109748
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 53174667
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 4972680
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylcyclohexanecarboxamide
CID 1385389
6-methyl-3-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56719204
3-[(cyclopentylamino)methyl]-6-methyl-1H-quinolin-2-one
CID 863819

Frequently Asked Questions

What is the IUPAC name of 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one (CID 95216100) is 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(CN(C)[C@@H](c3ccccn3)C3CC3)cc2c1.
What is the InChIKey of 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is ZBGJALMCZSWOCY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-6-9-18-16(11-14)12-17(21(25)23-18)13-24(2)20(15-7-8-15)19-5-3-4-10-22-19/h3-6,9-12,15,20H,7-8,13H2,1-2H3,(H,23,25)/t20-/m1/s1.
What are the key properties of 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one?
3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 333.44 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(R)-cyclopropyl(pyridin-2-yl)methyl]-methylamino]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 95216100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).