(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol

C24H31N3O3 — CID 157199901

IUPAC(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
SMILESCCCOCCCC[C@@H](O)COc1ccc2nc(-c3ccc(NC)nc3)ccc2c1
InChIInChI=1S/C24H31N3O3/c1-3-13-29-14-5-4-6-20(28)17-30-21-9-11-22-18(15-21)7-10-23(27-22)19-8-12-24(25-2)26-16-19/h7-12,15-16,20,28H,3-6,13-14,17H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyAQRHKNKOERAGPY-HXUWFJFHSA-N
MW409.53 g/mol
LogP4.68
Rot. Bonds12

About (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol

(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol (PubChem CID 157199901) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol.

Molecular Properties

Compound Name(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
PubChem CID157199901
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol
SMILESCCCOCCCC[C@@H](O)COc1ccc2nc(-c3ccc(NC)nc3)ccc2c1
InChIInChI=1S/C24H31N3O3/c1-3-13-29-14-5-4-6-20(28)17-30-21-9-11-22-18(15-21)7-10-23(27-22)19-8-12-24(25-2)26-16-19/h7-12,15-16,20,28H,3-6,13-14,17H2,1-2H3,(H,25,26)/t20-/m1/s1
InChIKeyAQRHKNKOERAGPY-HXUWFJFHSA-N
XLogP4.68
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxy-3-(18F)fluoropropan-2-ol;1-(18F)fluoro-3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropan-2-ol;1-(18F)fluoro-3-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxypropan-2-ol
CID 158020962
1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxypentan-2-ol
CID 170244403
3-[2-[4-(methylamino)phenyl]quinolin-6-yl]oxypropane-1,2-diol
CID 118642420
1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
CID 178090534
amino-[5-[6-[(2R)-2-hydroxybutoxy]quinolin-2-yl]-2-pyridinyl]cyanamide
CID 146365210
6-methoxy-2-(6-octoxynaphthalen-2-yl)quinoline
CID 122228076
6-methoxy-2-(4-propoxyphenyl)quinoline
CID 102441525
5-[6-(2-amino-3-fluoropropoxy)quinolin-2-yl]-N,N-dimethylpyridin-2-amine
CID 144834039
2-(4-decoxyphenyl)-6-octylquinoline
CID 67893738
4-(6-methoxyquinolin-2-yl)-N-methylaniline
CID 46931568
4-(6-ethoxyquinolin-2-yl)-N,N-dimethylaniline
CID 125465220
1-[4-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenoxy]hexan-2-ol
CID 19362455

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol?
The IUPAC name of (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol (CID 157199901) is (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol.
What is the SMILES notation for (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol?
The canonical SMILES for (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol is CCCOCCCC[C@@H](O)COc1ccc2nc(-c3ccc(NC)nc3)ccc2c1.
What is the InChIKey of (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol?
The InChIKey is AQRHKNKOERAGPY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-13-29-14-5-4-6-20(28)17-30-21-9-11-22-18(15-21)7-10-23(27-22)19-8-12-24(25-2)26-16-19/h7-12,15-16,20,28H,3-6,13-14,17H2,1-2H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol?
(2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol has a molecular weight of 409.53 g/mol, XLogP of 4.68, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-[6-(methylamino)-3-pyridinyl]quinolin-6-yl]oxy-6-propoxyhexan-2-ol is sourced from PubChem (CID 157199901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).