2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile

C25H23N5O3 — CID 126716558

IUPAC2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
SMILESCc1c(-c2ccc(N)c(C#N)c2)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H23N5O3/c1-13-17(14-2-7-19(27)15(10-14)11-26)5-6-18-22(13)30(16-3-4-16)25(31)21-23(18)33-24(29-21)20-12-28-8-9-32-20/h2,5-7,10,16,20,28H,3-4,8-9,12,27H2,1H3/t20-/m1/s1
InChIKeySUELTMKZUPRESS-HXUWFJFHSA-N
MW441.49 g/mol
LogP3.57
Rot. Bonds3

About 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile

2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile (PubChem CID 126716558) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
PubChem CID126716558
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile
SMILESCc1c(-c2ccc(N)c(C#N)c2)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12
InChIInChI=1S/C25H23N5O3/c1-13-17(14-2-7-19(27)15(10-14)11-26)5-6-18-22(13)30(16-3-4-16)25(31)21-23(18)33-24(29-21)20-12-28-8-9-32-20/h2,5-7,10,16,20,28H,3-4,8-9,12,27H2,1H3/t20-/m1/s1
InChIKeySUELTMKZUPRESS-HXUWFJFHSA-N
XLogP3.57
TPSA119.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile 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 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile?
The IUPAC name of 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile (CID 126716558) is 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile is Cc1c(-c2ccc(N)c(C#N)c2)ccc2c3oc([C@H]4CNCCO4)nc3c(=O)n(C3CC3)c12.
What is the InChIKey of 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile?
The InChIKey is SUELTMKZUPRESS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-13-17(14-2-7-19(27)15(10-14)11-26)5-6-18-22(13)30(16-3-4-16)25(31)21-23(18)33-24(29-21)20-12-28-8-9-32-20/h2,5-7,10,16,20,28H,3-4,8-9,12,27H2,1H3/t20-/m1/s1.
What are the key properties of 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile?
2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile has a molecular weight of 441.49 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-cyclopropyl-6-methyl-2-[(2R)-morpholin-2-yl]-4-oxo-[1,3]oxazolo[4,5-c]quinolin-7-yl]benzonitrile is sourced from PubChem (CID 126716558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).