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

C24H25FN6O3 — CID 3183456

IUPAC6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1
InChIInChI=1S/C24H25FN6O3/c1-2-34-19-7-8-21-17(13-19)14-20(24(32)26-21)22(30-9-11-33-12-10-30)23-27-28-29-31(23)15-16-3-5-18(25)6-4-16/h3-8,13-14,22H,2,9-12,15H2,1H3,(H,26,32)
InChIKeyZXZKESXBIAAIAA-UHFFFAOYSA-N
MW464.50 g/mol
LogP2.52
Rot. Bonds7

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

6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one (PubChem CID 3183456) has the molecular formula C24H25FN6O3 and a molecular weight of 464.50 g/mol. Its IUPAC name is 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
PubChem CID3183456
Molecular FormulaC24H25FN6O3
Molecular Weight464.50 g/mol
Exact Mass464.20
IUPAC Name6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1
InChIInChI=1S/C24H25FN6O3/c1-2-34-19-7-8-21-17(13-19)14-20(24(32)26-21)22(30-9-11-33-12-10-30)23-27-28-29-31(23)15-16-3-5-18(25)6-4-16/h3-8,13-14,22H,2,9-12,15H2,1H3,(H,26,32)
InChIKeyZXZKESXBIAAIAA-UHFFFAOYSA-N
XLogP2.52
TPSA98.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one with MolForge

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Related Compounds

3-[(S)-azepan-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160310
6-ethoxy-3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-1H-quinolin-2-one
CID 1160272
3-[(S)-(1-benzyltetrazol-5-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1375267
3-[(R)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 1160811
3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-6-methyl-1H-quinolin-2-one
CID 1157693
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-6-methoxy-1H-quinolin-2-one
CID 3183228
3-[(R)-(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 1159701
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-pyrrolidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159666
6-methoxy-3-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-piperidin-1-ylmethyl]-1H-quinolin-2-one
CID 1159678
3-[(R)-(1-cyclopentyltetrazol-5-yl)-morpholin-4-ylmethyl]-6-ethoxy-1H-quinolin-2-one
CID 1145765
3-[(S)-(1-benzyltetrazol-5-yl)-(4-cyclohexylpiperazin-1-yl)methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160137
3-[(4-ethylpiperazin-1-yl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 3182488

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one (CID 3183456) is 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccc(F)cc3)N3CCOCC3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
The InChIKey is ZXZKESXBIAAIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3/c1-2-34-19-7-8-21-17(13-19)14-20(24(32)26-21)22(30-9-11-33-12-10-30)23-27-28-29-31(23)15-16-3-5-18(25)6-4-16/h3-8,13-14,22H,2,9-12,15H2,1H3,(H,26,32).
What are the key properties of 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one?
6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one has a molecular weight of 464.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-morpholin-4-ylmethyl]-1H-quinolin-2-one is sourced from PubChem (CID 3183456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).