ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate

C17H21N3O3 — CID 3464193

IUPACethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc3cccnc3c2O)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-14-6-5-13-4-3-7-18-15(13)16(14)21/h3-7,21H,2,8-12H2,1H3
InChIKeyLZEUFNJKZXNMHF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds3

About ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate

ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate (PubChem CID 3464193) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
PubChem CID3464193
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc3cccnc3c2O)CC1
InChIInChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-14-6-5-13-4-3-7-18-15(13)16(14)21/h3-7,21H,2,8-12H2,1H3
InChIKeyLZEUFNJKZXNMHF-UHFFFAOYSA-N
XLogP2.21
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
7-[[4-[(1-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]methyl]quinolin-8-ol
CID 176719632
ethyl 4-[(2,6-dichloro-3-pyridinyl)methyl]piperazine-1-carboxylate
CID 107260719
ethyl 4-[2-(quinolin-8-ylamino)acetyl]piperazine-1-carboxylate
CID 109003913
ethyl 4-[3-oxo-3-(quinolin-8-ylamino)propanoyl]piperazine-1-carboxylate
CID 108950376
7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
CID 46837185
(2-ethoxy-3-pyridinyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16622980
(3,5-dimethoxy-4-methylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 55512963
ethyl 4-[(2-bromophenyl)methyl]piperazine-1-carboxylate
CID 782501
ethyl 4-[(2-carbamothioylphenyl)methyl]piperazine-1-carboxylate
CID 107877007
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
7-propylquinolin-8-ol
CID 11604513

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate (CID 3464193) is ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccc3cccnc3c2O)CC1.
What is the InChIKey of ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate?
The InChIKey is LZEUFNJKZXNMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-2-23-17(22)20-10-8-19(9-11-20)12-14-6-5-13-4-3-7-18-15(13)16(14)21/h3-7,21H,2,8-12H2,1H3.
What are the key properties of ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate?
ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(8-hydroxyquinolin-7-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 3464193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).