2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline

C18H23ClN2 — CID 63479216

IUPAC2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
SMILESCCCC1CCN(Cc2cc3ccccc3nc2Cl)CC1
InChIInChI=1S/C18H23ClN2/c1-2-5-14-8-10-21(11-9-14)13-16-12-15-6-3-4-7-17(15)20-18(16)19/h3-4,6-7,12,14H,2,5,8-11,13H2,1H3
InChIKeyKAXWYYXDCMDVQW-UHFFFAOYSA-N
MW302.85 g/mol
LogP4.90
Rot. Bonds4

About 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline

2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline (PubChem CID 63479216) has the molecular formula C18H23ClN2 and a molecular weight of 302.85 g/mol. Its IUPAC name is 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
PubChem CID63479216
Molecular FormulaC18H23ClN2
Molecular Weight302.85 g/mol
Exact Mass302.15
IUPAC Name2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
SMILESCCCC1CCN(Cc2cc3ccccc3nc2Cl)CC1
InChIInChI=1S/C18H23ClN2/c1-2-5-14-8-10-21(11-9-14)13-16-12-15-6-3-4-7-17(15)20-18(16)19/h3-4,6-7,12,14H,2,5,8-11,13H2,1H3
InChIKeyKAXWYYXDCMDVQW-UHFFFAOYSA-N
XLogP4.90
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.85
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
1-[(2-chloroquinolin-3-yl)methyl]-4-propylpyrrolidin-2-one
CID 104511613
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
4-[1-[(2-chloroquinolin-3-yl)methyl]piperidin-4-yl]-1-(1,3-oxazol-2-yl)butan-1-one
CID 16746754
2-chloro-3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]quinoline
CID 63611068
2-chloro-3-[(3,5-dimethylpiperazin-1-yl)methyl]quinoline
CID 63874080
1-[(2-chloroquinolin-3-yl)methyl]-N,N-dimethylpiperidin-3-amine
CID 63902353
2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 8719857
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
4-[(2-chloroquinolin-3-yl)methyl]-1-methylpiperazin-2-one
CID 64679888

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline (CID 63479216) is 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline is CCCC1CCN(Cc2cc3ccccc3nc2Cl)CC1.
What is the InChIKey of 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline?
The InChIKey is KAXWYYXDCMDVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2/c1-2-5-14-8-10-21(11-9-14)13-16-12-15-6-3-4-7-17(15)20-18(16)19/h3-4,6-7,12,14H,2,5,8-11,13H2,1H3.
What are the key properties of 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline?
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline has a molecular weight of 302.85 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 63479216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).