(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone

C23H18FN3O2 — CID 155512473

IUPAC(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyYZMKIGLDJXEFEW-CQSZACIVSA-N
MW387.41 g/mol
LogP4.79
Rot. Bonds2

About (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone

(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone (PubChem CID 155512473) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
PubChem CID155512473
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone
SMILESC[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3/t14-/m1/s1
InChIKeyYZMKIGLDJXEFEW-CQSZACIVSA-N
XLogP4.79
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone (CID 155512473) is (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone is C[C@@H]1c2noc(-c3ccc4ccccc4n3)c2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
The InChIKey is YZMKIGLDJXEFEW-CQSZACIVSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-21-18(12-13-27(14)23(28)16-6-9-17(24)10-7-16)22(29-26-21)20-11-8-15-4-2-3-5-19(15)25-20/h2-11,14H,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone?
(4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone has a molecular weight of 387.41 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(7R)-7-methyl-3-quinolin-2-yl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]methanone is sourced from PubChem (CID 155512473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).