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

C21H21N3O3 — CID 89443969

IUPAC4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnc3ccc(OCc4ccccc4)cc3c2)CC1
InChIInChI=1S/C21H21N3O3/c25-21(26)24-10-8-23(9-11-24)18-12-17-13-19(6-7-20(17)22-14-18)27-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,25,26)
InChIKeyGKSULMJAKNANNG-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.61
Rot. Bonds4

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

4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid (PubChem CID 89443969) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
PubChem CID89443969
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cnc3ccc(OCc4ccccc4)cc3c2)CC1
InChIInChI=1S/C21H21N3O3/c25-21(26)24-10-8-23(9-11-24)18-12-17-13-19(6-7-20(17)22-14-18)27-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,25,26)
InChIKeyGKSULMJAKNANNG-UHFFFAOYSA-N
XLogP3.61
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid
CID 89443578
6-(6-phenylmethoxyquinolin-3-yl)-2-oxa-6-azaspiro[3.3]heptane
CID 89443300
3-(4-phenylpiperazin-1-yl)quinolin-6-ol
CID 89443600
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-one
CID 90876902
2-chloro-1-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethanone
CID 58117978
benzyl 4-(7-chloro-1,8-naphthyridin-3-yl)piperazine-1-carboxylate
CID 168978371
2-[3-(4-methylpiperazin-1-yl)quinolin-6-yl]acetic acid
CID 123748317
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
1-[4-[4-(3-phenylmethoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 8004468
4-[4-[(2-aminophenyl)methoxy]phenyl]piperazine-1-carboxylic acid
CID 118918204
(4-phenylmethoxyphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371349

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid (CID 89443969) is 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cnc3ccc(OCc4ccccc4)cc3c2)CC1.
What is the InChIKey of 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
The InChIKey is GKSULMJAKNANNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c25-21(26)24-10-8-23(9-11-24)18-12-17-13-19(6-7-20(17)22-14-18)27-15-16-4-2-1-3-5-16/h1-7,12-14H,8-11,15H2,(H,25,26).
What are the key properties of 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid?
4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid has a molecular weight of 363.42 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylmethoxyquinolin-3-yl)piperazine-1-carboxylic acid is sourced from PubChem (CID 89443969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).