(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone

C25H25FN2O3 — CID 10159110

IUPAC(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc2c3c(ccc2n1)OCC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)O3
InChIInChI=1S/C25H25FN2O3/c1-16-2-7-21-22(27-16)8-9-23-25(21)31-20(15-30-23)14-28-12-10-18(11-13-28)24(29)17-3-5-19(26)6-4-17/h2-9,18,20H,10-15H2,1H3
InChIKeyQQKSVEXRYIEXFS-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.42
Rot. Bonds4

About (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone (PubChem CID 10159110) has the molecular formula C25H25FN2O3 and a molecular weight of 420.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone
PubChem CID10159110
Molecular FormulaC25H25FN2O3
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc2c3c(ccc2n1)OCC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)O3
InChIInChI=1S/C25H25FN2O3/c1-16-2-7-21-22(27-16)8-9-23-25(21)31-20(15-30-23)14-28-12-10-18(11-13-28)24(29)17-3-5-19(26)6-4-17/h2-9,18,20H,10-15H2,1H3
InChIKeyQQKSVEXRYIEXFS-UHFFFAOYSA-N
XLogP4.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone (CID 10159110) is (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone is Cc1ccc2c3c(ccc2n1)OCC(CN1CCC(C(=O)c2ccc(F)cc2)CC1)O3.
What is the InChIKey of (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone?
The InChIKey is QQKSVEXRYIEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3/c1-16-2-7-21-22(27-16)8-9-23-25(21)31-20(15-30-23)14-28-12-10-18(11-13-28)24(29)17-3-5-19(26)6-4-17/h2-9,18,20H,10-15H2,1H3.
What are the key properties of (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone has a molecular weight of 420.48 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[(8-methyl-2,3-dihydro-[1,4]dioxino[2,3-f]quinolin-2-yl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 10159110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).