9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

C17H16F2N4O3 — CID 21294353

IUPAC9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]oc2c1c(=O)c1cc(F)c(N3CCNCC3)c(F)c1n2C1CC1
InChIInChI=1S/C17H16F2N4O3/c18-10-7-9-13(12(19)14(10)22-5-3-20-4-6-22)23(8-1-2-8)17-11(15(9)24)16(25)21-26-17/h7-8,20H,1-6H2,(H,21,25)
InChIKeyLHCNNAKKCIDMKT-UHFFFAOYSA-N
MW362.34 g/mol
LogP1.46
Rot. Bonds2

About 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione

9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (PubChem CID 21294353) has the molecular formula C17H16F2N4O3 and a molecular weight of 362.34 g/mol. Its IUPAC name is 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.

Molecular Properties

Compound Name9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
PubChem CID21294353
Molecular FormulaC17H16F2N4O3
Molecular Weight362.34 g/mol
Exact Mass362.12
IUPAC Name9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione
SMILESO=c1[nH]oc2c1c(=O)c1cc(F)c(N3CCNCC3)c(F)c1n2C1CC1
InChIInChI=1S/C17H16F2N4O3/c18-10-7-9-13(12(19)14(10)22-5-3-20-4-6-22)23(8-1-2-8)17-11(15(9)24)16(25)21-26-17/h7-8,20H,1-6H2,(H,21,25)
InChIKeyLHCNNAKKCIDMKT-UHFFFAOYSA-N
XLogP1.46
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The IUPAC name of 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione (CID 21294353) is 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione.
What is the SMILES notation for 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The canonical SMILES for 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is O=c1[nH]oc2c1c(=O)c1cc(F)c(N3CCNCC3)c(F)c1n2C1CC1.
What is the InChIKey of 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
The InChIKey is LHCNNAKKCIDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3/c18-10-7-9-13(12(19)14(10)22-5-3-20-4-6-22)23(8-1-2-8)17-11(15(9)24)16(25)21-26-17/h7-8,20H,1-6H2,(H,21,25).
What are the key properties of 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione?
9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione has a molecular weight of 362.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6,8-difluoro-7-piperazin-1-yl-[1,2]oxazolo[5,4-b]quinoline-3,4-dione is sourced from PubChem (CID 21294353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).