2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol

C16H22N2O2 — CID 103044573

IUPAC2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
SMILESCCCNCC(C)(O)COc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-16(2,19)12-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,17,19H,3,9,11-12H2,1-2H3
InChIKeyYPCCLUWDNXZZQW-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.36
Rot. Bonds7

About 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol

2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol (PubChem CID 103044573) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
PubChem CID103044573
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol
SMILESCCCNCC(C)(O)COc1cccc2ncccc12
InChIInChI=1S/C16H22N2O2/c1-3-9-17-11-16(2,19)12-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,17,19H,3,9,11-12H2,1-2H3
InChIKeyYPCCLUWDNXZZQW-UHFFFAOYSA-N
XLogP2.36
TPSA54.38 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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-N-propyl-3-quinolin-5-yloxypropan-1-amine
CID 103045759
2-methyl-1-(propylamino)-3-quinolin-8-yloxypropan-2-ol
CID 66335947
2-(ethylamino)-2-methyl-3-quinolin-5-yloxypropan-1-ol
CID 103046028
1-(ethylamino)-2-methyl-3-quinolin-8-yloxypropan-2-ol
CID 66336093
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
2-(propylamino)-1-quinolin-5-ylethanol
CID 81221210
1-amino-2-methyl-6-quinolin-5-yloxyhexan-2-ol
CID 103046046
1-(2-chloro-4-fluorophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335048
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
N,2-dimethyl-2-quinolin-5-yloxypropan-1-amine
CID 103045718
1-(3-bromophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335329

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol (CID 103044573) is 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol is CCCNCC(C)(O)COc1cccc2ncccc12.
What is the InChIKey of 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol?
The InChIKey is YPCCLUWDNXZZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-9-17-11-16(2,19)12-20-15-8-4-7-14-13(15)6-5-10-18-14/h4-8,10,17,19H,3,9,11-12H2,1-2H3.
What are the key properties of 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol?
2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol has a molecular weight of 274.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)-3-quinolin-5-yloxypropan-2-ol is sourced from PubChem (CID 103044573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).