3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid

C22H23N3O3 — CID 89443578

IUPAC3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CCN1c1cnc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C22H23N3O3/c1-16-14-24(22(26)27)9-10-25(16)19-11-18-12-20(7-8-21(18)23-13-19)28-15-17-5-3-2-4-6-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,27)
InChIKeyWDIWIAQFDBRCSR-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.00
Rot. Bonds4

About 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid

3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid (PubChem CID 89443578) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
PubChem CID89443578
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CCN1c1cnc2ccc(OCc3ccccc3)cc2c1
InChIInChI=1S/C22H23N3O3/c1-16-14-24(22(26)27)9-10-25(16)19-11-18-12-20(7-8-21(18)23-13-19)28-15-17-5-3-2-4-6-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,27)
InChIKeyWDIWIAQFDBRCSR-UHFFFAOYSA-N
XLogP4.00
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443969
(3S)-4-[4-(2-methoxyethoxy)phenyl]-3-methylpiperazine-1-carboxylic acid
CID 166759000
6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 89443300
(3aS,6aS)-1-(5-phenylmethoxy-3-pyridinyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxylic acid
CID 68695924
tert-butyl (3S)-3-methyl-4-(6-phenylmethoxypyridazin-3-yl)piperazine-1-carboxylate
CID 178116354
2-(4-fluorophenoxy)-1-(3-methyl-4-phenylpiperazin-1-yl)ethanone
CID 110707721
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
tert-butyl 3-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)piperazine-1-carboxylate
CID 166525697
[1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-3-yl]methyl 4-(4-methoxyphenyl)-3-methylpiperazine-1-carboxylate
CID 6735875
4-[5-[(2-fluoro-4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylic acid
CID 123521757

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The IUPAC name of 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid (CID 89443578) is 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid is CC1CN(C(=O)O)CCN1c1cnc2ccc(OCc3ccccc3)cc2c1.
What is the InChIKey of 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The InChIKey is WDIWIAQFDBRCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-14-24(22(26)27)9-10-25(16)19-11-18-12-20(7-8-21(18)23-13-19)28-15-17-5-3-2-4-6-17/h2-8,11-13,16H,9-10,14-15H2,1H3,(H,26,27).
What are the key properties of 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 89443578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).