7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde

C16H17ClN2O — CID 20983139

IUPAC7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCc1c(Cl)ccc2cc(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C16H17ClN2O/c1-11-14(17)6-5-12-9-13(10-20)16(18-15(11)12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyYCHYZKQVXIBSTD-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.00
Rot. Bonds2

About 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde

7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde (PubChem CID 20983139) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
PubChem CID20983139
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
SMILESCc1c(Cl)ccc2cc(C=O)c(N3CCCCC3)nc12
InChIInChI=1S/C16H17ClN2O/c1-11-14(17)6-5-12-9-13(10-20)16(18-15(11)12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyYCHYZKQVXIBSTD-UHFFFAOYSA-N
XLogP4.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde (CID 20983139) is 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde is Cc1c(Cl)ccc2cc(C=O)c(N3CCCCC3)nc12.
What is the InChIKey of 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde?
The InChIKey is YCHYZKQVXIBSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-11-14(17)6-5-12-9-13(10-20)16(18-15(11)12)19-7-3-2-4-8-19/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde?
7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde has a molecular weight of 288.78 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde is sourced from PubChem (CID 20983139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).