[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

C16H20ClN3 — CID 120773381

IUPAC[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2c(Cl)ccc3cccnc23)C1
InChIInChI=1S/C16H20ClN3/c1-16(10-18)6-8-20(11-16)9-13-14(17)5-4-12-3-2-7-19-15(12)13/h2-5,7H,6,8-11,18H2,1H3
InChIKeyIFHWQIBDSNGIHL-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.06
Rot. Bonds3

About [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine

[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120773381) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120773381
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCC1(CN)CCN(Cc2c(Cl)ccc3cccnc23)C1
InChIInChI=1S/C16H20ClN3/c1-16(10-18)6-8-20(11-16)9-13-14(17)5-4-12-3-2-7-19-15(12)13/h2-5,7H,6,8-11,18H2,1H3
InChIKeyIFHWQIBDSNGIHL-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine with MolForge

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Related Compounds

[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771962
7-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852939
4-[[3-(aminomethyl)-3-methylpyrrolidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120780589
(3R)-1-[(7-chloroquinolin-8-yl)methyl]piperidin-3-ol
CID 94382578
[1-(3-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanamine
CID 107160290
[3-methyl-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]pyrrolidin-3-yl]methanamine
CID 120773135
2-[4-[(7-chloroquinolin-8-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55831932
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 120807977
(3-methyl-1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine;hydrochloride
CID 120777285
[1-[(4-bromo-3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120847005
[3-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120773051
[1-[(3-chlorothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120846944

Frequently Asked Questions

What is the IUPAC name of [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120773381) is [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is CC1(CN)CCN(Cc2c(Cl)ccc3cccnc23)C1.
What is the InChIKey of [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is IFHWQIBDSNGIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-16(10-18)6-8-20(11-16)9-13-14(17)5-4-12-3-2-7-19-15(12)13/h2-5,7H,6,8-11,18H2,1H3.
What are the key properties of [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 289.81 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-chloroquinolin-8-yl)methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120773381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).