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

C30H30N2O3 — CID 143206570

IUPAC1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O3/c1-20(2)35-29-10-6-4-7-24(29)21-11-13-22(14-12-21)27-19-28(25-8-3-5-9-26(25)31-27)32-17-15-23(16-18-32)30(33)34/h3-14,19-20,23H,15-18H2,1-2H3,(H,33,34)
InChIKeyPFPMKAOKHVIEIH-UHFFFAOYSA-N
MW466.58 g/mol
LogP6.66
Rot. Bonds6

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

1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid (PubChem CID 143206570) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
PubChem CID143206570
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
SMILESCC(C)Oc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O3/c1-20(2)35-29-10-6-4-7-24(29)21-11-13-22(14-12-21)27-19-28(25-8-3-5-9-26(25)31-27)32-17-15-23(16-18-32)30(33)34/h3-14,19-20,23H,15-18H2,1-2H3,(H,33,34)
InChIKeyPFPMKAOKHVIEIH-UHFFFAOYSA-N
XLogP6.66
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(2-ethoxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid
CID 143206525
1-[2-(2-methoxyphenyl)quinolin-4-yl]piperidine-4-carboxamide
CID 10594748
ethyl 1-[2-(4-bromophenyl)quinolin-4-yl]piperidine-4-carboxylate
CID 143206576
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
2-(4-chlorophenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 70459272
4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
1-[2-[4-(2-methoxyphenyl)phenyl]quinolin-4-yl]ethanone
CID 145465068
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
methyl 1-(2-methylquinolin-4-yl)pyrrolidine-3-carboxylate
CID 78983917

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid (CID 143206570) is 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid is CC(C)Oc1ccccc1-c1ccc(-c2cc(N3CCC(C(=O)O)CC3)c3ccccc3n2)cc1.
What is the InChIKey of 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is PFPMKAOKHVIEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-20(2)35-29-10-6-4-7-24(29)21-11-13-22(14-12-21)27-19-28(25-8-3-5-9-26(25)31-27)32-17-15-23(16-18-32)30(33)34/h3-14,19-20,23H,15-18H2,1-2H3,(H,33,34).
What are the key properties of 1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid?
1-[2-[4-(2-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 466.58 g/mol, XLogP of 6.66, 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-propan-2-yloxyphenyl)phenyl]quinolin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 143206570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).