1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol

C20H21ClN2O2 — CID 154834075

IUPAC1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H21ClN2O2/c1-23(12-15-6-3-2-4-7-15)13-16(24)14-25-19-10-9-18(21)17-8-5-11-22-20(17)19/h2-11,16,24H,12-14H2,1H3
InChIKeyZHIZHWHIUZCLEV-UHFFFAOYSA-N
MW356.85 g/mol
LogP3.76
Rot. Bonds7

About 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol

1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol (PubChem CID 154834075) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol
PubChem CID154834075
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol
SMILESCN(Cc1ccccc1)CC(O)COc1ccc(Cl)c2cccnc12
InChIInChI=1S/C20H21ClN2O2/c1-23(12-15-6-3-2-4-7-15)13-16(24)14-25-19-10-9-18(21)17-8-5-11-22-20(17)19/h2-11,16,24H,12-14H2,1H3
InChIKeyZHIZHWHIUZCLEV-UHFFFAOYSA-N
XLogP3.76
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[benzyl(methyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 117067141
(2R)-1-[benzyl(methyl)amino]-3-[5-[(dimethylamino)methyl]-2-methoxyphenoxy]propan-2-ol
CID 42511734
N-[(4-chlorophenyl)methyl]-2-(5-chloroquinolin-8-yl)oxy-N-methylacetamide
CID 8716397
1-[benzyl(methyl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 110877486
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
1-(2,5-dichlorophenoxy)-3-[(3-methoxyphenyl)methyl-methylamino]propan-2-ol
CID 3891436
1-(N-phenylanilino)-3-quinolin-8-yloxypropan-2-ol
CID 3069813
2-[3-[benzyl(methyl)amino]-2-hydroxypropoxy]-6-fluorobenzonitrile
CID 109416148
2-(5-chloroquinolin-8-yl)oxy-N,N-diethylethanamine
CID 146013303
methyl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 15257198
(2R)-1-[benzyl(methyl)amino]-3-[5-[[2-(diethylamino)ethyl-methylamino]methyl]-2-methoxyphenoxy]propan-2-ol
CID 51633903
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
CID 19390515

Frequently Asked Questions

What is the IUPAC name of 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol?
The IUPAC name of 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol (CID 154834075) is 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol.
What is the SMILES notation for 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol?
The canonical SMILES for 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol is CN(Cc1ccccc1)CC(O)COc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol?
The InChIKey is ZHIZHWHIUZCLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-23(12-15-6-3-2-4-7-15)13-16(24)14-25-19-10-9-18(21)17-8-5-11-22-20(17)19/h2-11,16,24H,12-14H2,1H3.
What are the key properties of 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol?
1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol has a molecular weight of 356.85 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl(methyl)amino]-3-(5-chloroquinolin-8-yl)oxypropan-2-ol is sourced from PubChem (CID 154834075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).