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

C23H25N3O2 — CID 146343550

IUPAC7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1c2ncccc2CCC1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c27-23-18(8-7-16-4-3-12-24-22(16)23)11-15-26-13-9-17(10-14-26)21-19-5-1-2-6-20(19)28-25-21/h1-6,12,17-18H,7-11,13-15H2
InChIKeyBKTVULJKAVNQNZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.24
Rot. Bonds4

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

7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one (PubChem CID 146343550) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

Compound Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
PubChem CID146343550
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one
SMILESO=C1c2ncccc2CCC1CCN1CCC(c2noc3ccccc23)CC1
InChIInChI=1S/C23H25N3O2/c27-23-18(8-7-16-4-3-12-24-22(16)23)11-15-26-13-9-17(10-14-26)21-19-5-1-2-6-20(19)28-25-21/h1-6,12,17-18H,7-11,13-15H2
InChIKeyBKTVULJKAVNQNZ-UHFFFAOYSA-N
XLogP4.24
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The IUPAC name of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one (CID 146343550) is 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one.
What is the SMILES notation for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The canonical SMILES for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one is O=C1c2ncccc2CCC1CCN1CCC(c2noc3ccccc23)CC1.
What is the InChIKey of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
The InChIKey is BKTVULJKAVNQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23-18(8-7-16-4-3-12-24-22(16)23)11-15-26-13-9-17(10-14-26)21-19-5-1-2-6-20(19)28-25-21/h1-6,12,17-18H,7-11,13-15H2.
What are the key properties of 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one?
7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 375.47 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 146343550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).