(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one

C20H16N4O2 — CID 136743356

IUPAC(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one
SMILESCc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc3[nH]ncc3cc21
InChIInChI=1S/C20H16N4O2/c1-11-19(23-20(26-11)12-5-3-2-4-6-12)15-8-18(25)22-17-9-16-13(7-14(15)17)10-21-24-16/h2-7,9-10,15H,8H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyJBBZFGXHEVMUBT-OAHLLOKOSA-N
MW344.37 g/mol
LogP4.00
Rot. Bonds2

About (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one

(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one (PubChem CID 136743356) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one.

Molecular Properties

Compound Name(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one
PubChem CID136743356
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one
SMILESCc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc3[nH]ncc3cc21
InChIInChI=1S/C20H16N4O2/c1-11-19(23-20(26-11)12-5-3-2-4-6-12)15-8-18(25)22-17-9-16-13(7-14(15)17)10-21-24-16/h2-7,9-10,15H,8H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1
InChIKeyJBBZFGXHEVMUBT-OAHLLOKOSA-N
XLogP4.00
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one 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 (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one?
The IUPAC name of (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one (CID 136743356) is (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one.
What is the SMILES notation for (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one?
The canonical SMILES for (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one is Cc1oc(-c2ccccc2)nc1[C@@H]1CC(=O)Nc2cc3[nH]ncc3cc21.
What is the InChIKey of (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one?
The InChIKey is JBBZFGXHEVMUBT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-11-19(23-20(26-11)12-5-3-2-4-6-12)15-8-18(25)22-17-9-16-13(7-14(15)17)10-21-24-16/h2-7,9-10,15H,8H2,1H3,(H,21,24)(H,22,25)/t15-/m1/s1.
What are the key properties of (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one?
(5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one has a molecular weight of 344.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1,5,6,8-tetrahydropyrazolo[4,3-g]quinolin-7-one is sourced from PubChem (CID 136743356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).