[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

C30H28N2O3 — CID 23936357

IUPAC[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C1
InChIInChI=1S/C30H28N2O3/c1-21-8-7-17-32(19-21)29(33)20-35-30(34)26-18-28(31-27-12-6-5-11-25(26)27)24-15-13-23(14-16-24)22-9-3-2-4-10-22/h2-6,9-16,18,21H,7-8,17,19-20H2,1H3
InChIKeyNHPLZWWRHNRIHU-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.98
Rot. Bonds5

About [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate (PubChem CID 23936357) has the molecular formula C30H28N2O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
PubChem CID23936357
Molecular FormulaC30H28N2O3
Molecular Weight464.57 g/mol
Exact Mass464.21
IUPAC Name[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate
SMILESCC1CCCN(C(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C1
InChIInChI=1S/C30H28N2O3/c1-21-8-7-17-32(19-21)29(33)20-35-30(34)26-18-28(31-27-12-6-5-11-25(26)27)24-15-13-23(14-16-24)22-9-3-2-4-10-22/h2-6,9-16,18,21H,7-8,17,19-20H2,1H3
InChIKeyNHPLZWWRHNRIHU-UHFFFAOYSA-N
XLogP5.98
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009944
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780546
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780545
(2-morpholin-4-yl-2-oxoethyl) 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3501639
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2479385
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135766683
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23938963
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 55495889
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 7395353
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate (CID 23936357) is [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate is CC1CCCN(C(=O)COC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C1.
What is the InChIKey of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate?
The InChIKey is NHPLZWWRHNRIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O3/c1-21-8-7-17-32(19-21)29(33)20-35-30(34)26-18-28(31-27-12-6-5-11-25(26)27)24-15-13-23(14-16-24)22-9-3-2-4-10-22/h2-6,9-16,18,21H,7-8,17,19-20H2,1H3.
What are the key properties of [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate?
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 23936357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).