7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline

C18H19ClN4 — CID 133341876

IUPAC7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
SMILESCn1cc(CC2CCN(c3ccnc4cc(Cl)ccc34)C2)cn1
InChIInChI=1S/C18H19ClN4/c1-22-11-14(10-21-22)8-13-5-7-23(12-13)18-4-6-20-17-9-15(19)2-3-16(17)18/h2-4,6,9-11,13H,5,7-8,12H2,1H3
InChIKeyPESIUVAXTWAPGK-UHFFFAOYSA-N
MW326.83 g/mol
LogP3.69
Rot. Bonds3

About 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline

7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline (PubChem CID 133341876) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline.

Molecular Properties

Compound Name7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
PubChem CID133341876
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline
SMILESCn1cc(CC2CCN(c3ccnc4cc(Cl)ccc34)C2)cn1
InChIInChI=1S/C18H19ClN4/c1-22-11-14(10-21-22)8-13-5-7-23(12-13)18-4-6-20-17-9-15(19)2-3-16(17)18/h2-4,6,9-11,13H,5,7-8,12H2,1H3
InChIKeyPESIUVAXTWAPGK-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Chloroquine
CID 2719
(+-)-Desethylchloroquine
CID 95478
Sontoquine
CID 66553
7-Chloro-4-(1-pyrrolidinyl)quinoline
CID 962627
(-)-Chloroquine
CID 444810
(+)-Chloroquine
CID 639540
4-(2-Methyl-1-pyrrolidyl)-7-chloroquinoline
CID 95382
Ferroquine
CID 140118553
7-Chloro-4-(4-methyl-1-piperazinyl)quinoline
CID 7275193
7-chloro-N-(5-(pyrrolidin-1-yl)pentan-2-yl)quinolin-4-amine
CID 220624
(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11618861

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The IUPAC name of 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline (CID 133341876) is 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline.
What is the SMILES notation for 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The canonical SMILES for 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline is Cn1cc(CC2CCN(c3ccnc4cc(Cl)ccc34)C2)cn1.
What is the InChIKey of 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
The InChIKey is PESIUVAXTWAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4/c1-22-11-14(10-21-22)8-13-5-7-23(12-13)18-4-6-20-17-9-15(19)2-3-16(17)18/h2-4,6,9-11,13H,5,7-8,12H2,1H3.
What are the key properties of 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline?
7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline has a molecular weight of 326.83 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]quinoline is sourced from PubChem (CID 133341876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).