6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C22H24N6O4 — CID 156861871

IUPAC6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cccc2c1CC(CNCCc1nn(-c3ccc4c(n3)NC(=O)CO4)c(=O)o1)C2N
InChIInChI=1S/C22H24N6O4/c1-12-3-2-4-14-15(12)9-13(20(14)23)10-24-8-7-19-27-28(22(30)32-19)17-6-5-16-21(25-17)26-18(29)11-31-16/h2-6,13,20,24H,7-11,23H2,1H3,(H,25,26,29)
InChIKeyAVEJMHJTZFUXHM-UHFFFAOYSA-N
MW436.47 g/mol
LogP0.86
Rot. Bonds6

About 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156861871) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156861871
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESCc1cccc2c1CC(CNCCc1nn(-c3ccc4c(n3)NC(=O)CO4)c(=O)o1)C2N
InChIInChI=1S/C22H24N6O4/c1-12-3-2-4-14-15(12)9-13(20(14)23)10-24-8-7-19-27-28(22(30)32-19)17-6-5-16-21(25-17)26-18(29)11-31-16/h2-6,13,20,24H,7-11,23H2,1H3,(H,25,26,29)
InChIKeyAVEJMHJTZFUXHM-UHFFFAOYSA-N
XLogP0.86
TPSA137.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[5-[3-[[(3S)-5-fluoro-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]amino]propyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 86342048
5-[2-[(1-amino-4-chloro-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-3-(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)-1,3-oxazolidin-2-one
CID 156862476
6-[5-[2-[(4-chloro-1-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl)methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156862265
[5-(2-aminopropoxy)-4-cyano-2-[[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]methyl]-2,3-dihydro-1H-inden-1-yl] formate
CID 166759765
6-[5-[2-[[3-(6-methoxy-2-pyridinyl)phenyl]methylamino]ethyl]-2-oxo-1,3-oxazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 118938930
6-[5-[[2-(7-fluoro-1-methyl-2-oxoquinolin-8-yl)ethylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 146458463
2-[2-[2-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]ethylamino]ethyl]isoindole-1,3-dione
CID 156862197
6-[5-[3-[(4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-6-yl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 156861925
6-[5-[[(4-chloro-2,3-dihydro-1H-inden-2-yl)-methylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 166759607
3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propanal
CID 87367134
6-[5-[2-[[3-(azetidin-3-ylmethoxy)-1,4-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridin-6-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 156861905
6-[(5R)-5-[[3-(3-fluoro-5-methyl-6-oxo-1,5-naphthyridin-4-yl)propylamino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490472

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156861871) is 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is Cc1cccc2c1CC(CNCCc1nn(-c3ccc4c(n3)NC(=O)CO4)c(=O)o1)C2N.
What is the InChIKey of 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is AVEJMHJTZFUXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-12-3-2-4-14-15(12)9-13(20(14)23)10-24-8-7-19-27-28(22(30)32-19)17-6-5-16-21(25-17)26-18(29)11-31-16/h2-6,13,20,24H,7-11,23H2,1H3,(H,25,26,29).
What are the key properties of 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 436.47 g/mol, XLogP of 0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[(1-amino-4-methyl-2,3-dihydro-1H-inden-2-yl)methylamino]ethyl]-2-oxo-1,3,4-oxadiazol-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156861871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).