4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile

C24H20N4O2 — CID 71720813

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)cnc2cc(-c3ccc(-n4ccoc4=O)cc3)ccc12)C1CC1
InChIInChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyUYHWBUQAFDQZDY-OAHLLOKOSA-N
MW396.45 g/mol
LogP4.73
Rot. Bonds5

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile

4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile (PubChem CID 71720813) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile
PubChem CID71720813
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)cnc2cc(-c3ccc(-n4ccoc4=O)cc3)ccc12)C1CC1
InChIInChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1
InChIKeyUYHWBUQAFDQZDY-OAHLLOKOSA-N
XLogP4.73
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile (CID 71720813) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile is C[C@@H](Nc1c(C#N)cnc2cc(-c3ccc(-n4ccoc4=O)cc3)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile?
The InChIKey is UYHWBUQAFDQZDY-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-15(16-2-3-16)27-23-19(13-25)14-26-22-12-18(6-9-21(22)23)17-4-7-20(8-5-17)28-10-11-30-24(28)29/h4-12,14-16H,2-3H2,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile?
4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile has a molecular weight of 396.45 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-[4-(2-oxo-1,3-oxazol-3-yl)phenyl]quinoline-3-carbonitrile is sourced from PubChem (CID 71720813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).