ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate

C23H25N3O4 — CID 8932617

IUPACethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1C
InChIInChI=1S/C23H25N3O4/c1-3-29-23(28)21-16(2)17-7-4-5-8-18(17)24-19(21)15-25-10-12-26(13-11-25)22(27)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyOKMBQAQLHPHMMY-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.27
Rot. Bonds5

About ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate

ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate (PubChem CID 8932617) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
PubChem CID8932617
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nameethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1C
InChIInChI=1S/C23H25N3O4/c1-3-29-23(28)21-16(2)17-7-4-5-8-18(17)24-19(21)15-25-10-12-26(13-11-25)22(27)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3
InChIKeyOKMBQAQLHPHMMY-UHFFFAOYSA-N
XLogP3.27
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 55916411
ethyl 4-methyl-2-[[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]quinoline-3-carboxylate
CID 18191638
furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830
methyl 2-(azocan-1-ylmethyl)-4-methylquinoline-3-carboxylate
CID 8679831
ethyl 1-(1,3-benzothiazol-2-yl)-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]pyrazole-4-carboxylate
CID 56853911
furan-2-yl-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 171997967
furan-2-yl-[4-[[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25382829
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
CID 9354471
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366521

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The IUPAC name of ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate (CID 8932617) is ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate is CCOC(=O)c1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1C.
What is the InChIKey of ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
The InChIKey is OKMBQAQLHPHMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-3-29-23(28)21-16(2)17-7-4-5-8-18(17)24-19(21)15-25-10-12-26(13-11-25)22(27)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3.
What are the key properties of ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate?
ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate has a molecular weight of 407.47 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-4-methylquinoline-3-carboxylate is sourced from PubChem (CID 8932617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).