6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C24H32N6O2 — CID 646618

IUPAC6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C24H32N6O2/c1-15-6-4-8-29(13-15)22(23-26-27-28-30(23)14-19-7-5-9-32-19)20-12-18-11-16(2)10-17(3)21(18)25-24(20)31/h10-12,15,19,22H,4-9,13-14H2,1-3H3,(H,25,31)
InChIKeyFCMYNNFNLZEDLH-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.13
Rot. Bonds5

About 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 646618) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID646618
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCC(C)C3)cc2c1
InChIInChI=1S/C24H32N6O2/c1-15-6-4-8-29(13-15)22(23-26-27-28-30(23)14-19-7-5-9-32-19)20-12-18-11-16(2)10-17(3)21(18)25-24(20)31/h10-12,15,19,22H,4-9,13-14H2,1-3H3,(H,25,31)
InChIKeyFCMYNNFNLZEDLH-UHFFFAOYSA-N
XLogP3.13
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 646618) is 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCCC(C)C3)cc2c1.
What is the InChIKey of 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is FCMYNNFNLZEDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-15-6-4-8-29(13-15)22(23-26-27-28-30(23)14-19-7-5-9-32-19)20-12-18-11-16(2)10-17(3)21(18)25-24(20)31/h10-12,15,19,22H,4-9,13-14H2,1-3H3,(H,25,31).
What are the key properties of 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 436.56 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-3-[(3-methylpiperidin-1-yl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 646618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).