6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one

C22H28N6O3 — CID 3176570

IUPAC6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCCC3)cc2c1
InChIInChI=1S/C22H28N6O3/c1-30-16-7-8-19-15(12-16)13-18(22(29)23-19)20(27-9-3-2-4-10-27)21-24-25-26-28(21)14-17-6-5-11-31-17/h7-8,12-13,17,20H,2-6,9-11,14H2,1H3,(H,23,29)
InChIKeyRFWQSKBMTSQZQE-UHFFFAOYSA-N
MW424.51 g/mol
LogP2.28
Rot. Bonds6

About 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one

6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one (PubChem CID 3176570) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
PubChem CID3176570
Molecular FormulaC22H28N6O3
Molecular Weight424.51 g/mol
Exact Mass424.22
IUPAC Name6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
SMILESCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCCC3)cc2c1
InChIInChI=1S/C22H28N6O3/c1-30-16-7-8-19-15(12-16)13-18(22(29)23-19)20(27-9-3-2-4-10-27)21-24-25-26-28(21)14-17-6-5-11-31-17/h7-8,12-13,17,20H,2-6,9-11,14H2,1H3,(H,23,29)
InChIKeyRFWQSKBMTSQZQE-UHFFFAOYSA-N
XLogP2.28
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one (CID 3176570) is 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one is COc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCCC3)cc2c1.
What is the InChIKey of 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one?
The InChIKey is RFWQSKBMTSQZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-30-16-7-8-19-15(12-16)13-18(22(29)23-19)20(27-9-3-2-4-10-27)21-24-25-26-28(21)14-17-6-5-11-31-17/h7-8,12-13,17,20H,2-6,9-11,14H2,1H3,(H,23,29).
What are the key properties of 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one?
6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one has a molecular weight of 424.51 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 3176570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).