6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one

C25H28N6O3 — CID 647792

IUPAC6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1
InChIInChI=1S/C25H28N6O3/c1-3-17-6-9-22-19(14-17)15-21(25(32)26-22)23(30-10-12-34-13-11-30)24-27-28-29-31(24)16-18-4-7-20(33-2)8-5-18/h4-9,14-15,23H,3,10-13,16H2,1-2H3,(H,26,32)
InChIKeyGSSPIOYHYRCPDB-UHFFFAOYSA-N
MW460.54 g/mol
LogP2.56
Rot. Bonds7

About 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one

6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one (PubChem CID 647792) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
PubChem CID647792
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Name6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
SMILESCCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1
InChIInChI=1S/C25H28N6O3/c1-3-17-6-9-22-19(14-17)15-21(25(32)26-22)23(30-10-12-34-13-11-30)24-27-28-29-31(24)16-18-4-7-20(33-2)8-5-18/h4-9,14-15,23H,3,10-13,16H2,1-2H3,(H,26,32)
InChIKeyGSSPIOYHYRCPDB-UHFFFAOYSA-N
XLogP2.56
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.56
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-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one (CID 647792) is 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one is CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(OC)cc3)N3CCOCC3)cc2c1.
What is the InChIKey of 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The InChIKey is GSSPIOYHYRCPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-3-17-6-9-22-19(14-17)15-21(25(32)26-22)23(30-10-12-34-13-11-30)24-27-28-29-31(24)16-18-4-7-20(33-2)8-5-18/h4-9,14-15,23H,3,10-13,16H2,1-2H3,(H,26,32).
What are the key properties of 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one has a molecular weight of 460.54 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 647792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).