3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one

C24H27N7O4 — CID 3149921

IUPAC3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N7O4/c1-16-5-6-19-17(14-16)15-18(23(32)25-19)21(22-26-27-28-31(22)11-13-34-2)29-7-9-30(10-8-29)24(33)20-4-3-12-35-20/h3-6,12,14-15,21H,7-11,13H2,1-2H3,(H,25,32)
InChIKeyPCXJXHLLQWLNBU-UHFFFAOYSA-N
MW477.53 g/mol
LogP1.61
Rot. Bonds7

About 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one

3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one (PubChem CID 3149921) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
PubChem CID3149921
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
SMILESCOCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H27N7O4/c1-16-5-6-19-17(14-16)15-18(23(32)25-19)21(22-26-27-28-31(22)11-13-34-2)29-7-9-30(10-8-29)24(33)20-4-3-12-35-20/h3-6,12,14-15,21H,7-11,13H2,1-2H3,(H,25,32)
InChIKeyPCXJXHLLQWLNBU-UHFFFAOYSA-N
XLogP1.61
TPSA122.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The IUPAC name of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one (CID 3149921) is 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one is COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
The InChIKey is PCXJXHLLQWLNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-16-5-6-19-17(14-16)15-18(23(32)25-19)21(22-26-27-28-31(22)11-13-34-2)29-7-9-30(10-8-29)24(33)20-4-3-12-35-20/h3-6,12,14-15,21H,7-11,13H2,1-2H3,(H,25,32).
What are the key properties of 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one?
3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one has a molecular weight of 477.53 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3149921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).