(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

C22H26ClN3O — CID 118420112

IUPAC(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C22H26ClN3O/c1-14(2)11-22(4,24)13-27-21-12-26-19(9-15(21)3)18-7-8-25-20-10-16(23)5-6-17(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1
InChIKeyIAKPDBNOBNKMJQ-QFIPXVFZSA-N
MW383.92 g/mol
LogP5.40
Rot. Bonds6

About (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine

(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (PubChem CID 118420112) has the molecular formula C22H26ClN3O and a molecular weight of 383.92 g/mol. Its IUPAC name is (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
PubChem CID118420112
Molecular FormulaC22H26ClN3O
Molecular Weight383.92 g/mol
Exact Mass383.18
IUPAC Name(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C22H26ClN3O/c1-14(2)11-22(4,24)13-27-21-12-26-19(9-15(21)3)18-7-8-25-20-10-16(23)5-6-17(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1
InChIKeyIAKPDBNOBNKMJQ-QFIPXVFZSA-N
XLogP5.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine (CID 118420112) is (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is Cc1cc(-c2ccnc3cc(Cl)ccc23)ncc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
The InChIKey is IAKPDBNOBNKMJQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26ClN3O/c1-14(2)11-22(4,24)13-27-21-12-26-19(9-15(21)3)18-7-8-25-20-10-16(23)5-6-17(18)20/h5-10,12,14H,11,13,24H2,1-4H3/t22-/m0/s1.
What are the key properties of (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine?
(2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine has a molecular weight of 383.92 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(7-chloroquinolin-4-yl)-4-methyl-3-pyridinyl]oxy]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 118420112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).