1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine

C16H20ClN3 — CID 62588180

IUPAC1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-18-11-13-4-2-3-9-20(13)16-7-8-19-15-10-12(17)5-6-14(15)16/h5-8,10,13,18H,2-4,9,11H2,1H3
InChIKeyHHZHRGNFOVXXGK-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine

1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine (PubChem CID 62588180) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
PubChem CID62588180
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3/c1-18-11-13-4-2-3-9-20(13)16-7-8-19-15-10-12(17)5-6-14(15)16/h5-8,10,13,18H,2-4,9,11H2,1H3
InChIKeyHHZHRGNFOVXXGK-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-quinolin-4-ylpyrrolidin-2-yl)methanamine
CID 62585638
1-(7-chloroquinolin-4-yl)piperidine-2-carboxamide
CID 173119535
1-(7-chloroquinolin-4-yl)azepan-3-amine
CID 70760365
1-(7-chloroquinolin-4-yl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032257
1-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-2-yl]-N-methylmethanamine
CID 79728781
(1-quinolin-4-ylpiperidin-2-yl)methanol
CID 61339741
4-(3-bromopyrrolidin-1-yl)-7-chloroquinoline
CID 80669691
7-chloro-4-[3-(2-chloroethyl)piperidin-1-yl]quinoline
CID 63390489
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364
7-chloro-4-(3-methylpiperazin-1-yl)quinoline
CID 21101961
3-fluoro-4-[2-(methylaminomethyl)piperidin-1-yl]benzonitrile
CID 63253463
N-methyl-1-[1-(8-nitroquinolin-4-yl)pyrrolidin-2-yl]methanamine
CID 83067222

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine (CID 62588180) is 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1c1ccnc2cc(Cl)ccc12.
What is the InChIKey of 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine?
The InChIKey is HHZHRGNFOVXXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-18-11-13-4-2-3-9-20(13)16-7-8-19-15-10-12(17)5-6-14(15)16/h5-8,10,13,18H,2-4,9,11H2,1H3.
What are the key properties of 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine?
1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine has a molecular weight of 289.81 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-chloroquinolin-4-yl)piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62588180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).