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

C26H30N6O3 — CID 3183326

IUPAC7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C26H30N6O3/c1-17-10-12-31(13-11-17)24(22-14-19-6-9-21(35-3)15-23(19)27-26(22)33)25-28-29-30-32(25)16-18-4-7-20(34-2)8-5-18/h4-9,14-15,17,24H,10-13,16H2,1-3H3,(H,27,33)
InChIKeyYWUZYXACBGAZHW-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.40
Rot. Bonds7

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

7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 3183326) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID3183326
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
SMILESCOc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C26H30N6O3/c1-17-10-12-31(13-11-17)24(22-14-19-6-9-21(35-3)15-23(19)27-26(22)33)25-28-29-30-32(25)16-18-4-7-20(34-2)8-5-18/h4-9,14-15,17,24H,10-13,16H2,1-3H3,(H,27,33)
InChIKeyYWUZYXACBGAZHW-UHFFFAOYSA-N
XLogP3.40
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one (CID 3183326) is 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is COc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is YWUZYXACBGAZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-17-10-12-31(13-11-17)24(22-14-19-6-9-21(35-3)15-23(19)27-26(22)33)25-28-29-30-32(25)16-18-4-7-20(34-2)8-5-18/h4-9,14-15,17,24H,10-13,16H2,1-3H3,(H,27,33).
What are the key properties of 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one?
7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 474.57 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 3183326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).