6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C23H24ClN5O4 — CID 156862450

IUPAC6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNC(CN1CC2(C1)CN(c1ccc3c(n1)NC(=O)CO3)C(=O)O2)C1Cc2cccc(Cl)c2C1
InChIInChI=1S/C23H24ClN5O4/c24-16-3-1-2-13-6-14(7-15(13)16)17(25)8-28-10-23(11-28)12-29(22(31)33-23)19-5-4-18-21(26-19)27-20(30)9-32-18/h1-5,14,17H,6-12,25H2,(H,26,27,30)
InChIKeyHBVZXQLGKQJRCR-UHFFFAOYSA-N
MW469.93 g/mol
LogP1.82
Rot. Bonds4

About 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156862450) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156862450
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNC(CN1CC2(C1)CN(c1ccc3c(n1)NC(=O)CO3)C(=O)O2)C1Cc2cccc(Cl)c2C1
InChIInChI=1S/C23H24ClN5O4/c24-16-3-1-2-13-6-14(7-15(13)16)17(25)8-28-10-23(11-28)12-29(22(31)33-23)19-5-4-18-21(26-19)27-20(30)9-32-18/h1-5,14,17H,6-12,25H2,(H,26,27,30)
InChIKeyHBVZXQLGKQJRCR-UHFFFAOYSA-N
XLogP1.82
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-(2-chlorophenyl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 117001049
6-(2-oxopyrrolidin-1-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 144568295
2-amino-6-chloro-N-[3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]benzamide
CID 90216269
6-[5-[2-[[3-[(2R)-2-amino-3-hydroxypropoxy]-4-chloro-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 156862499
2-[[[2-methyl-1-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propan-2-yl]amino]methyl]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156861823
methylsulfanylmethane;6-(2-oxo-1,3-oxazolidin-3-yl)-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 142490527
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-(aminomethyl)-5-[2-[(4-fluoro-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 166759498
2-[[2-hydroxy-3-[2-oxo-3-(3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]-2,3-dihydro-1H-indene-4-carbonitrile
CID 156861880
6-[(4aR,7aS)-2-oxo-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-e][1,3]oxazin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 130302492
6-[5-[2-[[3-(2-aminopropoxy)-1-chloro-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 166759704

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156862450) is 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NC(CN1CC2(C1)CN(c1ccc3c(n1)NC(=O)CO3)C(=O)O2)C1Cc2cccc(Cl)c2C1.
What is the InChIKey of 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is HBVZXQLGKQJRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c24-16-3-1-2-13-6-14(7-15(13)16)17(25)8-28-10-23(11-28)12-29(22(31)33-23)19-5-4-18-21(26-19)27-20(30)9-32-18/h1-5,14,17H,6-12,25H2,(H,26,27,30).
What are the key properties of 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 469.93 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-amino-2-(4-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).