6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one

C24H28N6O2 — CID 3195869

IUPAC6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C24H28N6O2/c1-3-17-6-7-21-18(13-17)14-20(24(31)25-21)22(29-10-8-16(2)9-11-29)23-26-27-28-30(23)15-19-5-4-12-32-19/h4-7,12-14,16,22H,3,8-11,15H2,1-2H3,(H,25,31)
InChIKeyOQMAZSGMQHMZGS-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.54
Rot. Bonds6

About 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one

6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 3195869) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID3195869
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1
InChIInChI=1S/C24H28N6O2/c1-3-17-6-7-21-18(13-17)14-20(24(31)25-21)22(29-10-8-16(2)9-11-29)23-26-27-28-30(23)15-19-5-4-12-32-19/h4-7,12-14,16,22H,3,8-11,15H2,1-2H3,(H,25,31)
InChIKeyOQMAZSGMQHMZGS-UHFFFAOYSA-N
XLogP3.54
TPSA92.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (CID 3195869) is 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is OQMAZSGMQHMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-3-17-6-7-21-18(13-17)14-20(24(31)25-21)22(29-10-8-16(2)9-11-29)23-26-27-28-30(23)15-19-5-4-12-32-19/h4-7,12-14,16,22H,3,8-11,15H2,1-2H3,(H,25,31).
What are the key properties of 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 432.53 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3195869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).