4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile

C23H21N5O2 — CID 78135824

IUPAC4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile
SMILESCC(Nc1c(C#N)nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc12)C1CC1
InChIInChI=1S/C23H21N5O2/c1-14(15-2-3-15)25-22-19-9-6-17(12-20(19)26-27-21(22)13-24)16-4-7-18(8-5-16)28-10-11-30-23(28)29/h4-9,12,14-15H,2-3,10-11H2,1H3,(H,25,26)
InChIKeyZTUJOOLSZBQBDA-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.34
Rot. Bonds5

About 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile

4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile (PubChem CID 78135824) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile
PubChem CID78135824
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile
SMILESCC(Nc1c(C#N)nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc12)C1CC1
InChIInChI=1S/C23H21N5O2/c1-14(15-2-3-15)25-22-19-9-6-17(12-20(19)26-27-21(22)13-24)16-4-7-18(8-5-16)28-10-11-30-23(28)29/h4-9,12,14-15H,2-3,10-11H2,1H3,(H,25,26)
InChIKeyZTUJOOLSZBQBDA-UHFFFAOYSA-N
XLogP4.34
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(1R)-1-cyclopropylethyl]amino]-7-pyridin-4-ylcinnoline-3-carbonitrile
CID 71618474
4-(1-cyclopropylethylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 78135962
4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-[2-methoxy-4-(3-oxomorpholin-4-yl)phenyl]phenyl]cinnoline-3-carbonitrile
CID 118413319
4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile
CID 71061195
4-(2-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide
CID 71061364
7-(5-bromo-2-methoxyphenyl)-4-[[(1R)-1-cyclopropylethyl]amino]cinnoline-3-carboxamide;4-[[(1R)-1-cyclopropylethyl]amino]-7-[2-methoxy-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carboxamide;1,3-oxazolidin-2-one
CID 159845808
7-(4-bromophenyl)-4-(1-cyclopropylethylamino)cinnoline-3-carboxamide
CID 71060864
3-[3-(1-cyclohexylethylamino)phenyl]-1,3-oxazolidin-2-one
CID 43787434
4-(1-cyclopropylethylamino)-N-methyl-7-(4-methylsulfonylphenyl)cinnoline-3-carboxamide
CID 78157786
4-(methylamino)-7-(4-methylsulfonylphenyl)cinnoline-3-carbonitrile
CID 71060902
4-[1-[4-(2-oxo-1,3-oxazolidin-3-yl)anilino]ethyl]benzonitrile
CID 71990931
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile?
The IUPAC name of 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile (CID 78135824) is 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile is CC(Nc1c(C#N)nnc2cc(-c3ccc(N4CCOC4=O)cc3)ccc12)C1CC1.
What is the InChIKey of 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile?
The InChIKey is ZTUJOOLSZBQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14(15-2-3-15)25-22-19-9-6-17(12-20(19)26-27-21(22)13-24)16-4-7-18(8-5-16)28-10-11-30-23(28)29/h4-9,12,14-15H,2-3,10-11H2,1H3,(H,25,26).
What are the key properties of 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile?
4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylethylamino)-7-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cinnoline-3-carbonitrile is sourced from PubChem (CID 78135824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).