7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one

C17H22ClN3O — CID 95388340

IUPAC7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CCCN1C
InChIInChI=1S/C17H22ClN3O/c1-20(11-15-4-3-7-21(15)2)10-13-8-12-5-6-14(18)9-16(12)19-17(13)22/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyRRCOOHQNMHQTAY-HNNXBMFYSA-N
MW319.84 g/mol
LogP2.71
Rot. Bonds4

About 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one

7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 95388340) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID95388340
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
SMILESCN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CCCN1C
InChIInChI=1S/C17H22ClN3O/c1-20(11-15-4-3-7-21(15)2)10-13-8-12-5-6-14(18)9-16(12)19-17(13)22/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,22)/t15-/m0/s1
InChIKeyRRCOOHQNMHQTAY-HNNXBMFYSA-N
XLogP2.71
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

6-ethoxy-3-[[methyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95226225
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
3-[[[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-methylamino]methyl]-7-chloro-1H-quinolin-2-one
CID 135109757
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2R)-1-methylpiperidin-2-yl]methanamine
CID 99931196
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-[(2S)-1-methylpiperidin-2-yl]methanamine
CID 99931195
4-fluoro-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]benzoic acid
CID 107908033
4-methyl-2-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]phenol
CID 82982815
3-[[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl-methylamino]methyl]-1H-quinolin-2-one
CID 128981506
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79303970
7-chloro-3-[[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95197872
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
N-[(2-bromo-4-fluorophenyl)methyl]-N-methyl-1-(1-methylpyrrolidin-2-yl)methanamine
CID 79315406

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one (CID 95388340) is 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one is CN(Cc1cc2ccc(Cl)cc2[nH]c1=O)C[C@@H]1CCCN1C.
What is the InChIKey of 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is RRCOOHQNMHQTAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-20(11-15-4-3-7-21(15)2)10-13-8-12-5-6-14(18)9-16(12)19-17(13)22/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one?
7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 319.84 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[[methyl-[[(2S)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 95388340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).