2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline

C18H19ClN4 — CID 95154123

IUPAC2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
SMILESClc1nc2ccccc2cc1CN1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C18H19ClN4/c19-18-15(10-14-4-1-2-6-17(14)21-18)11-22-8-3-5-16(12-22)23-9-7-20-13-23/h1-2,4,6-7,9-10,13,16H,3,5,8,11-12H2/t16-/m1/s1
InChIKeyFWQLCQXAMCYCFG-MRXNPFEDSA-N
MW326.83 g/mol
LogP3.92
Rot. Bonds3

About 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline

2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline (PubChem CID 95154123) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
PubChem CID95154123
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline
SMILESClc1nc2ccccc2cc1CN1CCC[C@@H](n2ccnc2)C1
InChIInChI=1S/C18H19ClN4/c19-18-15(10-14-4-1-2-6-17(14)21-18)11-22-8-3-5-16(12-22)23-9-7-20-13-23/h1-2,4,6-7,9-10,13,16H,3,5,8,11-12H2/t16-/m1/s1
InChIKeyFWQLCQXAMCYCFG-MRXNPFEDSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-N,N-dimethylpiperidin-3-amine
CID 63902353
2-chloro-3-(piperidin-1-ylmethyl)quinoline
CID 60669623
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000
1-(1-benzylpyrrolidin-3-yl)imidazole
CID 18712879
4-[(2-chloroquinolin-3-yl)methyl]-2-methyl-1,4-oxazepane
CID 62988336
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
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
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216
2-chloro-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinoline
CID 9346935
1-[(2-chloroquinolin-3-yl)methyl]piperidine-2,6-dione
CID 60921459
5-[(2-chloroquinolin-3-yl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 16599442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline?
The IUPAC name of 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline (CID 95154123) is 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline?
The canonical SMILES for 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline is Clc1nc2ccccc2cc1CN1CCC[C@@H](n2ccnc2)C1.
What is the InChIKey of 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline?
The InChIKey is FWQLCQXAMCYCFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-18-15(10-14-4-1-2-6-17(14)21-18)11-22-8-3-5-16(12-22)23-9-7-20-13-23/h1-2,4,6-7,9-10,13,16H,3,5,8,11-12H2/t16-/m1/s1.
What are the key properties of 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline?
2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline has a molecular weight of 326.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[[(3R)-3-imidazol-1-ylpiperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 95154123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).