1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one

C26H30FN3O3 — CID 68620145

IUPAC1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)N2c3c(F)cccc3CCC2C)CC1
InChIInChI=1S/C26H30FN3O3/c1-17-6-9-23-20(14-17)16-33-26(32)30(23)21-10-12-28(13-11-21)15-24(31)29-18(2)7-8-19-4-3-5-22(27)25(19)29/h3-6,9,14,18,21H,7-8,10-13,15-16H2,1-2H3
InChIKeyOIALWGPGEKGLJQ-UHFFFAOYSA-N
MW451.54 g/mol
LogP4.42
Rot. Bonds3

About 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one

1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one (PubChem CID 68620145) has the molecular formula C26H30FN3O3 and a molecular weight of 451.54 g/mol. Its IUPAC name is 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one.

Molecular Properties

Compound Name1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
PubChem CID68620145
Molecular FormulaC26H30FN3O3
Molecular Weight451.54 g/mol
Exact Mass451.23
IUPAC Name1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one
SMILESCc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)N2c3c(F)cccc3CCC2C)CC1
InChIInChI=1S/C26H30FN3O3/c1-17-6-9-23-20(14-17)16-33-26(32)30(23)21-10-12-28(13-11-21)15-24(31)29-18(2)7-8-19-4-3-5-22(27)25(19)29/h3-6,9,14,18,21H,7-8,10-13,15-16H2,1-2H3
InChIKeyOIALWGPGEKGLJQ-UHFFFAOYSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.54
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one?
The IUPAC name of 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one (CID 68620145) is 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one.
What is the SMILES notation for 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one?
The canonical SMILES for 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one is Cc1ccc2c(c1)COC(=O)N2C1CCN(CC(=O)N2c3c(F)cccc3CCC2C)CC1.
What is the InChIKey of 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one?
The InChIKey is OIALWGPGEKGLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O3/c1-17-6-9-23-20(14-17)16-33-26(32)30(23)21-10-12-28(13-11-21)15-24(31)29-18(2)7-8-19-4-3-5-22(27)25(19)29/h3-6,9,14,18,21H,7-8,10-13,15-16H2,1-2H3.
What are the key properties of 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one?
1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one has a molecular weight of 451.54 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(8-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-6-methyl-4H-3,1-benzoxazin-2-one is sourced from PubChem (CID 68620145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).