[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C25H26F2N4O3 — CID 118273711

IUPAC[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H26F2N4O3/c26-24(27)18-2-6-23(28-16-18)34-20-3-5-21-17(15-20)1-4-22(29-21)25(32)31-9-7-19(8-10-31)30-11-13-33-14-12-30/h1-6,15-16,19,24H,7-14H2
InChIKeyIIRSEKVQHTWQPT-UHFFFAOYSA-N
MW468.50 g/mol
LogP4.30
Rot. Bonds5

About [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 118273711) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID118273711
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC Name[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C25H26F2N4O3/c26-24(27)18-2-6-23(28-16-18)34-20-3-5-21-17(15-20)1-4-22(29-21)25(32)31-9-7-19(8-10-31)30-11-13-33-14-12-30/h1-6,15-16,19,24H,7-14H2
InChIKeyIIRSEKVQHTWQPT-UHFFFAOYSA-N
XLogP4.30
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 118273711) is [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is IIRSEKVQHTWQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c26-24(27)18-2-6-23(28-16-18)34-20-3-5-21-17(15-20)1-4-22(29-21)25(32)31-9-7-19(8-10-31)30-11-13-33-14-12-30/h1-6,15-16,19,24H,7-14H2.
What are the key properties of [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 468.50 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[5-(difluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 118273711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).