7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

C26H30N6O2 — CID 652787

IUPAC7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C26H30N6O2/c1-18-10-13-31(14-11-18)24(22-16-20-8-9-21(34-2)17-23(20)27-26(22)33)25-28-29-30-32(25)15-12-19-6-4-3-5-7-19/h3-9,16-18,24H,10-15H2,1-2H3,(H,27,33)
InChIKeyUIAGQVXPQBZWHF-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.59
Rot. Bonds7

About 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one

7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (PubChem CID 652787) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
PubChem CID652787
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C26H30N6O2/c1-18-10-13-31(14-11-18)24(22-16-20-8-9-21(34-2)17-23(20)27-26(22)33)25-28-29-30-32(25)15-12-19-6-4-3-5-7-19/h3-9,16-18,24H,10-15H2,1-2H3,(H,27,33)
InChIKeyUIAGQVXPQBZWHF-UHFFFAOYSA-N
XLogP3.59
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one (CID 652787) is 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(C)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
The InChIKey is UIAGQVXPQBZWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-18-10-13-31(14-11-18)24(22-16-20-8-9-21(34-2)17-23(20)27-26(22)33)25-28-29-30-32(25)15-12-19-6-4-3-5-7-19/h3-9,16-18,24H,10-15H2,1-2H3,(H,27,33).
What are the key properties of 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one?
7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(4-methylpiperidin-1-yl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 652787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).