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

C18H14N4O2 — CID 166440547

IUPAC6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(=O)c(-c3cc(N)no3)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H14N4O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,19H2,(H2,20,22)(H,21,23)
InChIKeyRZYMIAVJGUGLEK-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.01
Rot. Bonds2

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

6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (PubChem CID 166440547) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
PubChem CID166440547
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
SMILESNc1ccc2[nH]c(=O)c(-c3cc(N)no3)c(-c3ccccc3)c2c1
InChIInChI=1S/C18H14N4O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,19H2,(H2,20,22)(H,21,23)
InChIKeyRZYMIAVJGUGLEK-UHFFFAOYSA-N
XLogP3.01
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The IUPAC name of 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one (CID 166440547) is 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The canonical SMILES for 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is Nc1ccc2[nH]c(=O)c(-c3cc(N)no3)c(-c3ccccc3)c2c1.
What is the InChIKey of 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
The InChIKey is RZYMIAVJGUGLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c19-11-6-7-13-12(8-11)16(10-4-2-1-3-5-10)17(18(23)21-13)14-9-15(20)22-24-14/h1-9H,19H2,(H2,20,22)(H,21,23).
What are the key properties of 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one?
6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one has a molecular weight of 318.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(3-amino-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one is sourced from PubChem (CID 166440547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).