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

C25H31N3O2 — CID 95871411

IUPAC(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H]2CCN(C)C2)cc1OC
InChIInChI=1S/C25H31N3O2/c1-17-6-7-18-13-20(15-28(3)21-10-11-27(2)16-21)25(26-22(18)12-17)19-8-9-23(29-4)24(14-19)30-5/h6-9,12-14,21H,10-11,15-16H2,1-5H3/t21-/m0/s1
InChIKeyBVUIFIDEHJZEQR-NRFANRHFSA-N
MW405.54 g/mol
LogP4.36
Rot. Bonds6

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

(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (PubChem CID 95871411) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
PubChem CID95871411
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
SMILESCOc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H]2CCN(C)C2)cc1OC
InChIInChI=1S/C25H31N3O2/c1-17-6-7-18-13-20(15-28(3)21-10-11-27(2)16-21)25(26-22(18)12-17)19-8-9-23(29-4)24(14-19)30-5/h6-9,12-14,21H,10-11,15-16H2,1-5H3/t21-/m0/s1
InChIKeyBVUIFIDEHJZEQR-NRFANRHFSA-N
XLogP4.36
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-7-methylquinoline
CID 70721722
(3S)-1-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]piperidine-3-carbonitrile
CID 95871680
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]thiophene-2-carboxamide
CID 42417365
N-cyclopropyl-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42451188
[4-methoxy-3-[[methyl-(1-methylpiperidin-3-yl)amino]methyl]phenyl]methanol
CID 62545227
1-(3,4-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]methanamine
CID 26354774
1-(2-methoxy-5-methylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanol
CID 62545228
3-[(2-methoxy-5-methylphenoxy)methyl]-1-methylpyrrolidine
CID 145385406
N-[(2-amino-4,5-dimethoxyphenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 82183840
N-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-N,1-dimethylpiperidin-4-amine
CID 60860252
(3R)-N-[[3-(3-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methyl]-N,1-dimethylpyrrolidin-3-amine
CID 95892061
(1R)-N-[[2-(4-methoxyphenyl)-7-methylquinolin-3-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 95874612

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine (CID 95871411) is (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is COc1ccc(-c2nc3cc(C)ccc3cc2CN(C)[C@H]2CCN(C)C2)cc1OC.
What is the InChIKey of (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
The InChIKey is BVUIFIDEHJZEQR-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17-6-7-18-13-20(15-28(3)21-10-11-27(2)16-21)25(26-22(18)12-17)19-8-9-23(29-4)24(14-19)30-5/h6-9,12-14,21H,10-11,15-16H2,1-5H3/t21-/m0/s1.
What are the key properties of (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine?
(3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine has a molecular weight of 405.54 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[2-(3,4-dimethoxyphenyl)-7-methylquinolin-3-yl]methyl]-N,1-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 95871411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).