6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one

C24H26N4O3 — CID 10295511

IUPAC6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC3CCN(CCOc4cccc5nnccc45)CC3)cc2N1
InChIInChI=1S/C24H26N4O3/c29-24-16-31-23-5-4-18(15-21(23)26-24)14-17-7-10-28(11-8-17)12-13-30-22-3-1-2-20-19(22)6-9-25-27-20/h1-6,9,15,17H,7-8,10-14,16H2,(H,26,29)
InChIKeyNAEJRSKZTWHUML-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.29
Rot. Bonds6

About 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one

6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one (PubChem CID 10295511) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
PubChem CID10295511
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(CC3CCN(CCOc4cccc5nnccc45)CC3)cc2N1
InChIInChI=1S/C24H26N4O3/c29-24-16-31-23-5-4-18(15-21(23)26-24)14-17-7-10-28(11-8-17)12-13-30-22-3-1-2-20-19(22)6-9-25-27-20/h1-6,9,15,17H,7-8,10-14,16H2,(H,26,29)
InChIKeyNAEJRSKZTWHUML-UHFFFAOYSA-N
XLogP3.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one 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
6-[[4-[2-(2-methylquinolin-5-yl)oxyethyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one
CID 10159927
6-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 10309968
6-[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 10274490
6-(4-benzylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 110345025
6-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 138688442
6-[1-[3-(7-chloro-2-methylquinolin-5-yl)oxypropyl]piperidin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 10184428
6-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylmethyl)-4H-1,4-benzoxazin-3-one
CID 11494132
N-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]methanesulfonamide
CID 24865725
2,6-dimethyl-4-[3-[[1-[2-(2-methylquinolin-5-yl)oxyethyl]piperidin-4-yl]methyl]phenyl]morpholine
CID 85335370
6-[2-[4-(2-phenylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10073139
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one (CID 10295511) is 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(CC3CCN(CCOc4cccc5nnccc45)CC3)cc2N1.
What is the InChIKey of 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is NAEJRSKZTWHUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c29-24-16-31-23-5-4-18(15-21(23)26-24)14-17-7-10-28(11-8-17)12-13-30-22-3-1-2-20-19(22)6-9-25-27-20/h1-6,9,15,17H,7-8,10-14,16H2,(H,26,29).
What are the key properties of 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one?
6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 418.50 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-cinnolin-5-yloxyethyl)piperidin-4-yl]methyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 10295511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).