1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid

C29H28N2O3 — CID 143206525

IUPAC1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H28N2O3/c1-2-34-28-10-6-4-7-23(28)20-11-13-21(14-12-20)26-19-27(24-8-3-5-9-25(24)30-26)31-17-15-22(16-18-31)29(32)33/h3-14,19,22H,2,15-18H2,1H3,(H,32,33)
InChIKeyAHGNJDOWMQVOMD-UHFFFAOYSA-N
MW452.55 g/mol
LogP6.27
Rot. Bonds6

About 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid

1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 143206525) has the molecular formula C29H28N2O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
PubChem CID143206525
Molecular FormulaC29H28N2O3
Molecular Weight452.55 g/mol
Exact Mass452.21
IUPAC Name1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H28N2O3/c1-2-34-28-10-6-4-7-23(28)20-11-13-21(14-12-20)26-19-27(24-8-3-5-9-25(24)30-26)31-17-15-22(16-18-31)29(32)33/h3-14,19,22H,2,15-18H2,1H3,(H,32,33)
InChIKeyAHGNJDOWMQVOMD-UHFFFAOYSA-N
XLogP6.27
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206570
ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576
1-[2-(2-methoxyphenyl)quinolin-4-yl]piperidine-4-carboxamide
CID 10594748
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
1-[6-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 164929662
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
3-cyano-2-[4-(2-ethoxyphenyl)phenyl]quinoline-4-carboxylic acid
CID 70327608
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
1-[2-(4-bromophenyl)quinolin-4-yl]-N,N-diethylpiperidin-4-amine
CID 86273341
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid (CID 143206525) is 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid is CCOc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is AHGNJDOWMQVOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N2O3/c1-2-34-28-10-6-4-7-23(28)20-11-13-21(14-12-20)26-19-27(24-8-3-5-9-25(24)30-26)31-17-15-22(16-18-31)29(32)33/h3-14,19,22H,2,15-18H2,1H3,(H,32,33).
What are the key properties of 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 452.55 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 143206525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).