ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate

C24H27N3O3 — CID 6621007

IUPACethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-3-29-19-10-11-22-20(16-19)23(21(17-25-22)24(28)30-4-2)27-14-12-26(13-15-27)18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3
InChIKeyILTDMXMXERGEPX-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.14
Rot. Bonds6

About ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate

ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate (PubChem CID 6621007) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate
PubChem CID6621007
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H27N3O3/c1-3-29-19-10-11-22-20(16-19)23(21(17-25-22)24(28)30-4-2)27-14-12-26(13-15-27)18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3
InChIKeyILTDMXMXERGEPX-UHFFFAOYSA-N
XLogP4.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 304558
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Rpr260243
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Ethyl 4-(furan-2-ylmethylamino)quinoline-3-carboxylate
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Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
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Ethyl 4-amino-6-methoxyquinoline-3-carboxylate
CID 16644472
6-(Benzyloxy)-4-(Ethylsulfanyl)-3-[(Morpholin-4-Yl)
CID 124081735
Quinostatin
CID 6620134
Methyl 2-(4-((8-(3-methoxyphenyl)quinolin-6-yl)methoxy)phenyl)acetate
CID 49866268
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735

Frequently Asked Questions

What is the IUPAC name of ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate (CID 6621007) is ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2)CC1.
What is the InChIKey of ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate?
The InChIKey is ILTDMXMXERGEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-3-29-19-10-11-22-20(16-19)23(21(17-25-22)24(28)30-4-2)27-14-12-26(13-15-27)18-8-6-5-7-9-18/h5-11,16-17H,3-4,12-15H2,1-2H3.
What are the key properties of ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate?
ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-ethoxy-4-(4-phenylpiperazin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 6621007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).