6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

C26H31N3O2 — CID 10309968

IUPAC6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NCCO5)CC3)cccc2n1
InChIInChI=1S/C26H31N3O2/c1-19-5-7-22-23(28-19)3-2-4-25(22)31-16-14-29-12-9-20(10-13-29)17-21-6-8-26-24(18-21)27-11-15-30-26/h2-8,18,20,27H,9-17H2,1H3
InChIKeyFAWUIBIVJXLUII-UHFFFAOYSA-N
MW417.55 g/mol
LogP4.68
Rot. Bonds6

About 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 10309968) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID10309968
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NCCO5)CC3)cccc2n1
InChIInChI=1S/C26H31N3O2/c1-19-5-7-22-23(28-19)3-2-4-25(22)31-16-14-29-12-9-20(10-13-29)17-21-6-8-26-24(18-21)27-11-15-30-26/h2-8,18,20,27H,9-17H2,1H3
InChIKeyFAWUIBIVJXLUII-UHFFFAOYSA-N
XLogP4.68
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine with MolForge

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Related Compounds

6-[[1-[3-(2-methylquinolin-5-yl)oxypropyl]piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10225553
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 85335370
6-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10159927
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10295511
2-(dimethylamino)-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 10127673
N-cyclopentyl-3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]benzamide
CID 10195487
2-chloro-N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]acetamide
CID 69353335
6-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 10274490
4-[2-[3-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]phenoxy]ethyl]morpholine
CID 10195770
4-methyl-6-[[4-[3-(2-methylquinolin-5-yl)oxypropyl]piperazin-1-yl]methyl]-1,4-benzoxazin-3-one
CID 10139485
5-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]quinazoline
CID 11235335

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine (CID 10309968) is 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is Cc1ccc2c(OCCN3CCC(Cc4ccc5c(c4)NCCO5)CC3)cccc2n1.
What is the InChIKey of 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FAWUIBIVJXLUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-19-5-7-22-23(28-19)3-2-4-25(22)31-16-14-29-12-9-20(10-13-29)17-21-6-8-26-24(18-21)27-11-15-30-26/h2-8,18,20,27H,9-17H2,1H3.
What are the key properties of 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine?
6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 417.55 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 10309968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).