1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol

C22H26N2O2 — CID 18432972

IUPAC1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol
SMILESCCCCNCC(O)COc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H26N2O2/c1-2-3-13-23-15-18(25)16-26-22-14-21(17-9-5-4-6-10-17)24-20-12-8-7-11-19(20)22/h4-12,14,18,23,25H,2-3,13,15-16H2,1H3
InChIKeyWMAPSAFKJLWQOF-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.03
Rot. Bonds9

About 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol

1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol (PubChem CID 18432972) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol
PubChem CID18432972
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol
SMILESCCCCNCC(O)COc1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C22H26N2O2/c1-2-3-13-23-15-18(25)16-26-22-14-21(17-9-5-4-6-10-17)24-20-12-8-7-11-19(20)22/h4-12,14,18,23,25H,2-3,13,15-16H2,1H3
InChIKeyWMAPSAFKJLWQOF-UHFFFAOYSA-N
XLogP4.03
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.03
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

1-(3-morpholin-4-ylpropylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol;hydrochloride
CID 18432984
(2S)-1-(1-bromonaphthalen-2-yl)oxy-3-(butylamino)propan-2-ol
CID 27269374
4-ethoxy-2-phenylquinoline
CID 14954061
1-[2-[4-(diethylamino)phenyl]quinolin-4-yl]oxy-3-fluoropropan-2-ol
CID 56971548
2-(methylamino)-1-(2-phenylquinolin-4-yl)ethanol
CID 90669595
1-(butylamino)-3-[[4-[3-(butylamino)-2-hydroxypropoxy]-5,8-dihydronaphthalen-1-yl]oxy]propan-2-ol
CID 13388433
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
2-(4-chlorophenyl)-4-ethoxyquinoline
CID 10880586
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
N,N-dimethyl-1-[2-(4-propoxyphenyl)quinolin-4-yl]oxypropan-2-amine;hydrochloride
CID 71734398

Frequently Asked Questions

What is the IUPAC name of 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol (CID 18432972) is 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol is CCCCNCC(O)COc1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol?
The InChIKey is WMAPSAFKJLWQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-3-13-23-15-18(25)16-26-22-14-21(17-9-5-4-6-10-17)24-20-12-8-7-11-19(20)22/h4-12,14,18,23,25H,2-3,13,15-16H2,1H3.
What are the key properties of 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol?
1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol has a molecular weight of 350.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butylamino)-3-(2-phenylquinolin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 18432972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).