7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one

C22H23FN4O2 — CID 146344672

IUPAC7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1c2ncccc2CCC1CCN1CCN(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-17-5-6-18-19(14-17)29-25-22(18)27-12-10-26(11-13-27)9-7-16-4-3-15-2-1-8-24-20(15)21(16)28/h1-2,5-6,8,14,16H,3-4,7,9-13H2
InChIKeyHMMXYCTYWOEEES-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.32
Rot. Bonds4

About 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one

7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one (PubChem CID 146344672) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
PubChem CID146344672
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1c2ncccc2CCC1CCN1CCN(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C22H23FN4O2/c23-17-5-6-18-19(14-17)29-25-22(18)27-12-10-26(11-13-27)9-7-16-4-3-15-2-1-8-24-20(15)21(16)28/h1-2,5-6,8,14,16H,3-4,7,9-13H2
InChIKeyHMMXYCTYWOEEES-UHFFFAOYSA-N
XLogP3.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one (CID 146344672) is 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one is O=C1c2ncccc2CCC1CCN1CCN(c2noc3cc(F)ccc23)CC1.
What is the InChIKey of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is HMMXYCTYWOEEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-17-5-6-18-19(14-17)29-25-22(18)27-12-10-26(11-13-27)9-7-16-4-3-15-2-1-8-24-20(15)21(16)28/h1-2,5-6,8,14,16H,3-4,7,9-13H2.
What are the key properties of 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 394.45 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 146344672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).