1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol

C17H23N3O — CID 115965646

IUPAC1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNCc1cc2ccccc2nc1N1CCC(C(C)O)C1
InChIInChI=1S/C17H23N3O/c1-12(21)14-7-8-20(11-14)17-15(10-18-2)9-13-5-3-4-6-16(13)19-17/h3-6,9,12,14,18,21H,7-8,10-11H2,1-2H3
InChIKeySSBWAPYSJHELFA-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.16
Rot. Bonds4

About 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol

1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol (PubChem CID 115965646) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
PubChem CID115965646
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
SMILESCNCc1cc2ccccc2nc1N1CCC(C(C)O)C1
InChIInChI=1S/C17H23N3O/c1-12(21)14-7-8-20(11-14)17-15(10-18-2)9-13-5-3-4-6-16(13)19-17/h3-6,9,12,14,18,21H,7-8,10-11H2,1-2H3
InChIKeySSBWAPYSJHELFA-UHFFFAOYSA-N
XLogP2.16
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
CID 115560704
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
1-[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281052
1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
N-methyl-1-[2-(2-methylpiperidin-1-yl)quinolin-3-yl]methanamine
CID 43280386
1-[3-(bromomethyl)quinolin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 107083281
[2-(4-ethylpiperidin-1-yl)quinolin-3-yl]methanol
CID 61421257
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
1-(1-phthalazin-1-ylpyrrolidin-3-yl)ethanol
CID 112627869

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol (CID 115965646) is 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol is CNCc1cc2ccccc2nc1N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is SSBWAPYSJHELFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(21)14-7-8-20(11-14)17-15(10-18-2)9-13-5-3-4-6-16(13)19-17/h3-6,9,12,14,18,21H,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol?
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 285.39 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 115965646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).