(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

C23H26ClN3O — CID 95862955

IUPAC(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc2cc(CN3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C23H26ClN3O/c1-26(2)20-10-11-27(15-20)14-18-12-17-6-9-21(28-3)13-22(17)25-23(18)16-4-7-19(24)8-5-16/h4-9,12-13,20H,10-11,14-15H2,1-3H3/t20-/m0/s1
InChIKeyLCTOLHUJFOLQDW-FQEVSTJZSA-N
MW395.93 g/mol
LogP4.70
Rot. Bonds5

About (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine

(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 95862955) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID95862955
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC Name(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCOc1ccc2cc(CN3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1
InChIInChI=1S/C23H26ClN3O/c1-26(2)20-10-11-27(15-20)14-18-12-17-6-9-21(28-3)13-22(17)25-23(18)16-4-7-19(24)8-5-16/h4-9,12-13,20H,10-11,14-15H2,1-3H3/t20-/m0/s1
InChIKeyLCTOLHUJFOLQDW-FQEVSTJZSA-N
XLogP4.70
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine with MolForge

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Related Compounds

1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]piperidin-3-ol
CID 70785675
[(2S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]pyrrolidin-2-yl]methanol
CID 70732351
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
N-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 42397899
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
(3R)-1-[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 51634375
(3S)-1-[[2-(4-chlorophenyl)-5,8-dimethoxyquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70762576
4-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-1-methylpiperazin-2-one
CID 70763782
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
(3R)-1-[[2-(4-methoxyphenyl)-8-methylquinolin-3-yl]methyl]pyrrolidin-3-ol
CID 70742319

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine (CID 95862955) is (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is COc1ccc2cc(CN3CC[C@H](N(C)C)C3)c(-c3ccc(Cl)cc3)nc2c1.
What is the InChIKey of (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LCTOLHUJFOLQDW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-26(2)20-10-11-27(15-20)14-18-12-17-6-9-21(28-3)13-22(17)25-23(18)16-4-7-19(24)8-5-16/h4-9,12-13,20H,10-11,14-15H2,1-3H3/t20-/m0/s1.
What are the key properties of (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 395.93 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[2-(4-chlorophenyl)-7-methoxyquinolin-3-yl]methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 95862955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).