(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C16H20Cl3N3O — CID 119649937

IUPAC(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-18-10-13-3-2-8-20(13)16(21)14-7-5-11-4-6-12(17)9-15(11)19-14;;/h4-7,9,13,18H,2-3,8,10H2,1H3;2*1H
InChIKeyZWSSHDNAOZOHSX-UHFFFAOYSA-N
MW376.72 g/mol
LogP3.56
Rot. Bonds3

About (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride

(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119649937) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119649937
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC Name(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCNCC1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl
InChIInChI=1S/C16H18ClN3O.2ClH/c1-18-10-13-3-2-8-20(13)16(21)14-7-5-11-4-6-12(17)9-15(11)19-14;;/h4-7,9,13,18H,2-3,8,10H2,1H3;2*1H
InChIKeyZWSSHDNAOZOHSX-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558
(4-chlorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650883
(4-chloro-2-fluorophenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484658
(2-bromo-4-chlorophenyl)-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124677503
[2-(methylaminomethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807625
[2-(1-aminoethyl)piperidin-1-yl]-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119435711
2-(2,4-dichlorophenyl)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119648543
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119649080
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651049
(5-chlorofuran-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651425
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048

Frequently Asked Questions

What is the IUPAC name of (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 119649937) is (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride is CNCC1CCCN1C(=O)c1ccc2ccc(Cl)cc2n1.Cl.Cl.
What is the InChIKey of (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is ZWSSHDNAOZOHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O.2ClH/c1-18-10-13-3-2-8-20(13)16(21)14-7-5-11-4-6-12(17)9-15(11)19-14;;/h4-7,9,13,18H,2-3,8,10H2,1H3;2*1H.
What are the key properties of (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
(7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 376.72 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloroquinolin-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119649937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).