6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one

C19H15N3O2 — CID 135421239

IUPAC6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(N)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H15N3O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,20H2,1H3,(H,21,23)
InChIKeyWIMKRMBHQDXTAH-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.74
Rot. Bonds2

About 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one

6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (PubChem CID 135421239) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
PubChem CID135421239
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESCc1cc(-c2c(-c3ccccc3)c3cc(N)ccc3[nH]c2=O)on1
InChIInChI=1S/C19H15N3O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,20H2,1H3,(H,21,23)
InChIKeyWIMKRMBHQDXTAH-UHFFFAOYSA-N
XLogP3.74
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (CID 135421239) is 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is Cc1cc(-c2c(-c3ccccc3)c3cc(N)ccc3[nH]c2=O)on1.
What is the InChIKey of 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is WIMKRMBHQDXTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-11-9-16(24-22-11)18-17(12-5-3-2-4-6-12)14-10-13(20)7-8-15(14)21-19(18)23/h2-10H,20H2,1H3,(H,21,23).
What are the key properties of 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 135421239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).