(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C19H14N2O — CID 166445029

IUPAC(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(c3cccc4cccnc34)=N[C@@H]21
InChIInChI=1S/C19H14N2O/c1-2-8-14-13(5-1)11-16-18(14)21-19(22-16)15-9-3-6-12-7-4-10-20-17(12)15/h1-10,16,18H,11H2/t16-,18+/m1/s1
InChIKeyATPMPBDXKINSCT-AEFFLSMTSA-N
MW286.33 g/mol
LogP3.68
Rot. Bonds1

About (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 166445029) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID166445029
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESc1ccc2c(c1)C[C@H]1OC(c3cccc4cccnc34)=N[C@@H]21
InChIInChI=1S/C19H14N2O/c1-2-8-14-13(5-1)11-16-18(14)21-19(22-16)15-9-3-6-12-7-4-10-20-17(12)15/h1-10,16,18H,11H2/t16-,18+/m1/s1
InChIKeyATPMPBDXKINSCT-AEFFLSMTSA-N
XLogP3.68
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 166445029) is (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is c1ccc2c(c1)C[C@H]1OC(c3cccc4cccnc34)=N[C@@H]21.
What is the InChIKey of (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is ATPMPBDXKINSCT-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H14N2O/c1-2-8-14-13(5-1)11-16-18(14)21-19(22-16)15-9-3-6-12-7-4-10-20-17(12)15/h1-10,16,18H,11H2/t16-,18+/m1/s1.
What are the key properties of (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 286.33 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-quinolin-8-yl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 166445029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).