1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol

C16H22N2O2 — CID 103046046

IUPAC1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
SMILESCC(O)(CN)CCCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-16(19,12-17)9-2-3-11-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,19H,2-3,9,11-12,17H2,1H3
InChIKeyPVHNVAWXHICFTH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.49
Rot. Bonds7

About 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol

1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol (PubChem CID 103046046) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
PubChem CID103046046
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
SMILESCC(O)(CN)CCCCOc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-16(19,12-17)9-2-3-11-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,19H,2-3,9,11-12,17H2,1H3
InChIKeyPVHNVAWXHICFTH-UHFFFAOYSA-N
XLogP2.49
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-amino-2-methyl-6-quinolin-5-yloxyhexan-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

5-(3,3-dimethylbutoxy)quinoline
CID 59667943
1-amino-2-methyl-5-quinolin-8-yloxypentan-2-ol
CID 64815036
1-amino-2-methyl-6-quinolin-7-yloxyhexan-2-ol
CID 107315657
1-amino-2-methyl-4-quinolin-8-yloxybutan-2-ol
CID 64815238
5-(9-bromononoxy)quinoline
CID 103044601
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109
2-methyl-2-(methylamino)-5-quinolin-5-yloxypentanenitrile
CID 103045530
6-quinolin-5-yloxyhexane-1-sulfonamide
CID 103046001
N-(3-aminopropyl)-N-methyl-3-quinolin-5-yloxypropanamide
CID 103044350
2-ethyl-2-(methylamino)-5-quinolin-5-yloxypentan-1-ol
CID 106810724
2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
CID 103044573
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol?
The IUPAC name of 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol (CID 103046046) is 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol?
The canonical SMILES for 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol is CC(O)(CN)CCCCOc1cccc2ncccc12.
What is the InChIKey of 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol?
The InChIKey is PVHNVAWXHICFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(19,12-17)9-2-3-11-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,19H,2-3,9,11-12,17H2,1H3.
What are the key properties of 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol?
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol is sourced from PubChem (CID 103046046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).