4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

C15H19Cl2N3O — CID 120962086

IUPAC4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-4-10-2-1-3-19-15(10)11(5-13)6-17-7-12-8-18-9-14(12)20;/h1-5,12,14,17-18,20H,6-9H2;1H
InChIKeyVYMIQXPLSMPCBL-UHFFFAOYSA-N
MW328.24 g/mol
LogP1.98
Rot. Bonds4

About 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride

4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (PubChem CID 120962086) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.

Molecular Properties

Compound Name4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
PubChem CID120962086
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
SMILESCl.OC1CNCC1CNCc1cc(Cl)cc2cccnc12
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-4-10-2-1-3-19-15(10)11(5-13)6-17-7-12-8-18-9-14(12)20;/h1-5,12,14,17-18,20H,6-9H2;1H
InChIKeyVYMIQXPLSMPCBL-UHFFFAOYSA-N
XLogP1.98
TPSA57.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride with MolForge

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Related Compounds

4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962551
4-[[(2-methyl-3-pyridinyl)methylamino]methyl]pyrrolidin-3-ol
CID 120961741
4-[[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961872
4-[[(3-chlorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962488
4-[[(3,5-dichloro-2-methoxyphenyl)methylamino]methyl]pyrrolidin-3-ol
CID 120962721
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962419
4-[[(3-chloro-4-fluorophenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120961768
(6-chloroquinolin-8-yl)methanamine
CID 82505038
4-[[[2-(pyridin-3-ylmethoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 120963153
4-[[(4-bromo-2-methylphenyl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962614
4-[[(6-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962540
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-2-carboxamide;dihydrochloride
CID 120946232

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The IUPAC name of 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride (CID 120962086) is 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride.
What is the SMILES notation for 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The canonical SMILES for 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is Cl.OC1CNCC1CNCc1cc(Cl)cc2cccnc12.
What is the InChIKey of 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
The InChIKey is VYMIQXPLSMPCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.ClH/c16-13-4-10-2-1-3-19-15(10)11(5-13)6-17-7-12-8-18-9-14(12)20;/h1-5,12,14,17-18,20H,6-9H2;1H.
What are the key properties of 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride?
4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol;hydrochloride is sourced from PubChem (CID 120962086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).