ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

C22H26N4O3 — CID 109194191

IUPACethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)N3CCCc4ccccc43)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-29-22(28)25-14-12-24(13-15-25)18-9-10-19(23-16-18)21(27)26-11-5-7-17-6-3-4-8-20(17)26/h3-4,6,8-10,16H,2,5,7,11-15H2,1H3
InChIKeyYMUROBVOUSIHQW-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.95
Rot. Bonds3

About ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109194191) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109194191
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Nameethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ccc(C(=O)N3CCCc4ccccc43)nc2)CC1
InChIInChI=1S/C22H26N4O3/c1-2-29-22(28)25-14-12-24(13-15-25)18-9-10-19(23-16-18)21(27)26-11-5-7-17-6-3-4-8-20(17)26/h3-4,6,8-10,16H,2,5,7,11-15H2,1H3
InChIKeyYMUROBVOUSIHQW-UHFFFAOYSA-N
XLogP2.95
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate with MolForge

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Related Compounds

[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863
ethyl 4-[5-(4-acetylpiperazin-1-yl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109187379
3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
ethyl 4-[6-[(4-chlorophenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
CID 109194209
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
ethyl 4-[5-amino-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147410
[5-(3,4-dihydro-2H-quinolin-1-yl)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186328
ethyl 4-[6-(2-phenylethylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109191756
ethyl 4-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108834975
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate (CID 109194191) is ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ccc(C(=O)N3CCCc4ccccc43)nc2)CC1.
What is the InChIKey of ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is YMUROBVOUSIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-29-22(28)25-14-12-24(13-15-25)18-9-10-19(23-16-18)21(27)26-11-5-7-17-6-3-4-8-20(17)26/h3-4,6,8-10,16H,2,5,7,11-15H2,1H3.
What are the key properties of ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109194191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).