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

C20H23ClN4 — CID 75463684

IUPAC3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cnn(C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)c1
InChIInChI=1S/C20H23ClN4/c1-14-11-22-25(12-14)16-7-9-24(10-8-16)13-19-20(21)15(2)17-5-3-4-6-18(17)23-19/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyBAKCAUXRWJYOOL-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.54
Rot. Bonds3

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

3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 75463684) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline
PubChem CID75463684
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC Name3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cnn(C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)c1
InChIInChI=1S/C20H23ClN4/c1-14-11-22-25(12-14)16-7-9-24(10-8-16)13-19-20(21)15(2)17-5-3-4-6-18(17)23-19/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyBAKCAUXRWJYOOL-UHFFFAOYSA-N
XLogP4.54
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline (CID 75463684) is 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline is Cc1cnn(C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)c1.
What is the InChIKey of 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is BAKCAUXRWJYOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-14-11-22-25(12-14)16-7-9-24(10-8-16)13-19-20(21)15(2)17-5-3-4-6-18(17)23-19/h3-6,11-12,16H,7-10,13H2,1-2H3.
What are the key properties of 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline?
3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 354.89 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-2-[[4-(4-methylpyrazol-1-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 75463684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).