6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

C22H21ClN2O2 — CID 71556493

IUPAC6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12
InChIInChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)
InChIKeyGNZUTXQJDKZNGL-UHFFFAOYSA-N
MW380.88 g/mol
LogP5.55
Rot. Bonds3

About 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid

6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (PubChem CID 71556493) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
PubChem CID71556493
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC Name6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid
SMILESCc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12
InChIInChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)
InChIKeyGNZUTXQJDKZNGL-UHFFFAOYSA-N
XLogP5.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.88
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid (CID 71556493) is 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is Cc1cc(Cl)cc2c(-c3ccccc3)c(C(=O)O)c(N3CCCCC3)nc12.
What is the InChIKey of 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
The InChIKey is GNZUTXQJDKZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27).
What are the key properties of 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid?
6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid has a molecular weight of 380.88 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methyl-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid is sourced from PubChem (CID 71556493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).