6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

About 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156862364) has the molecular formula C26H30ClN5O5 and a molecular weight of 528.01 g/mol. Its IUPAC name is 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name	6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID	156862364
Molecular Formula	C26H30ClN5O5
Molecular Weight	528.01 g/mol
Exact Mass	527.19
IUPAC Name	6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILES	NC1(COc2ccc3c(c2Cl)CC(NCCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1
InChI	InChI=1S/C26H30ClN5O5/c27-23-18-11-16(10-15(18)3-4-19(23)36-14-26(28)7-8-26)29-9-1-2-17-12-32(25(34)37-17)21-6-5-20-24(30-21)31-22(33)13-35-20/h3-6,16-17,29H,1-2,7-14,28H2,(H,30,31,33)
InChIKey	BXRYORKOGZBOJT-UHFFFAOYSA-N
XLogP	2.80
TPSA	128.04 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	9
Heavy Atoms	37
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.01
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156862364) is 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NC1(COc2ccc3c(c2Cl)CC(NCCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1.

What is the InChIKey of 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is BXRYORKOGZBOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN5O5/c27-23-18-11-16(10-15(18)3-4-19(23)36-14-26(28)7-8-26)29-9-1-2-17-12-32(25(34)37-17)21-6-5-20-24(30-21)31-22(33)13-35-20/h3-6,16-17,29H,1-2,7-14,28H2,(H,30,31,33).

What are the key properties of 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 528.01 g/mol, XLogP of 2.80, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[3-[[5-[(1-aminocyclopropyl)methoxy]-4-chloro-2,3-dihydro-1H-inden-2-yl]amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).