6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one

C26H31N7O2 — CID 649350

IUPAC6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C26H31N7O2/c1-3-19-9-10-23-20(17-19)18-22(26(34)27-23)24(25-28-29-30-33(25)15-16-35-2)32-13-11-31(12-14-32)21-7-5-4-6-8-21/h4-10,17-18,24H,3,11-16H2,1-2H3,(H,27,34)
InChIKeyIOUZVTVUUHKKGA-UHFFFAOYSA-N
MW473.58 g/mol
LogP2.63
Rot. Bonds8

About 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one

6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 649350) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID649350
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1
InChIInChI=1S/C26H31N7O2/c1-3-19-9-10-23-20(17-19)18-22(26(34)27-23)24(25-28-29-30-33(25)15-16-35-2)32-13-11-31(12-14-32)21-7-5-4-6-8-21/h4-10,17-18,24H,3,11-16H2,1-2H3,(H,27,34)
InChIKeyIOUZVTVUUHKKGA-UHFFFAOYSA-N
XLogP2.63
TPSA92.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one (CID 649350) is 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4)CC3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is IOUZVTVUUHKKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-3-19-9-10-23-20(17-19)18-22(26(34)27-23)24(25-28-29-30-33(25)15-16-35-2)32-13-11-31(12-14-32)21-7-5-4-6-8-21/h4-10,17-18,24H,3,11-16H2,1-2H3,(H,27,34).
What are the key properties of 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one?
6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 473.58 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-phenylpiperazin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 649350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).