7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile

C17H16FN5O — CID 58475321

IUPAC7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile
SMILESCc1nc2c(N3CCN(C)CC3)nc3cc(F)c(C#N)cc3c2o1
InChIInChI=1S/C17H16FN5O/c1-10-20-15-16(24-10)12-7-11(9-19)13(18)8-14(12)21-17(15)23-5-3-22(2)4-6-23/h7-8H,3-6H2,1-2H3
InChIKeyKKHSHKZVYGLWMY-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.45
Rot. Bonds1

About 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile

7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile (PubChem CID 58475321) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile
PubChem CID58475321
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile
SMILESCc1nc2c(N3CCN(C)CC3)nc3cc(F)c(C#N)cc3c2o1
InChIInChI=1S/C17H16FN5O/c1-10-20-15-16(24-10)12-7-11(9-19)13(18)8-14(12)21-17(15)23-5-3-22(2)4-6-23/h7-8H,3-6H2,1-2H3
InChIKeyKKHSHKZVYGLWMY-UHFFFAOYSA-N
XLogP2.45
TPSA69.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile (CID 58475321) is 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile is Cc1nc2c(N3CCN(C)CC3)nc3cc(F)c(C#N)cc3c2o1.
What is the InChIKey of 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is KKHSHKZVYGLWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c1-10-20-15-16(24-10)12-7-11(9-19)13(18)8-14(12)21-17(15)23-5-3-22(2)4-6-23/h7-8H,3-6H2,1-2H3.
What are the key properties of 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile?
7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 325.35 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-4-(4-methylpiperazin-1-yl)-[1,3]oxazolo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 58475321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).