1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one

C105H122N12O11S — CID 158876346

About 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one

1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 158876346) has the molecular formula C105H122N12O11S and a molecular weight of 1760.27 g/mol. Its IUPAC name is 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 158876346
• Molecular Formula: C105H122N12O11S
• Molecular Weight: 1760.27 g/mol
• Exact Mass: 1758.91
• IUPAC Name: 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
• SMILES: CC(C)N1C(=O)CCc2ccccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)sc2ccccc21
• InChI: InChI=1S/2C14H13NO2.2C12H15NO.C12H17N.2C11H14N2O.C10H11NOS.C9H10N2O2/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8/h2*3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-7H,1-2H3;3-6H,1-2H3
• InChIKey: JCMDCAVQXNZHLG-UHFFFAOYSA-N
• XLogP: 22.64
• TPSA: 248.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1760.27
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The IUPAC name of 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 158876346) is 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one.

What is the SMILES notation for 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The canonical SMILES for 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one is CC(C)N1C(=O)CCc2ccccc21.CC(C)N1C(=O)NCc2ccccc21.CC(C)N1CCCc2ccccc21.CC(C)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2c3ccccc3ccc21.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.CC(C)n1c(=O)sc2ccccc21.

What is the InChIKey of 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is JCMDCAVQXNZHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H13NO2.2C12H15NO.C12H17N.2C11H14N2O.C10H11NOS.C9H10N2O2/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)17-14(15)16;1-9(2)15-12-8-7-10-5-3-4-6-11(10)13(12)17-14(15)16;1-9(2)13-8-11-6-4-3-5-10(11)7-12(13)14;1-9(2)13-11-6-4-3-5-10(11)7-8-12(13)14;1-10(2)13-9-5-7-11-6-3-4-8-12(11)13;1-8(2)13-7-9-5-3-4-6-10(9)12-11(13)14;1-8(2)13-10-6-4-3-5-9(10)7-12-11(13)14;1-7(2)11-8-5-3-4-6-9(8)13-10(11)12;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8/h2*3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;3-4,6,8,10H,5,7,9H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-7H,1-2H3;3-6H,1-2H3.

What are the key properties of 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?

1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 1760.27 g/mol, XLogP of 22.64, 9 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-ylbenzo[e][1,3]benzoxazol-2-one;3-propan-2-ylbenzo[g][1,3]benzoxazol-2-one;3-propan-2-yl-1,3-benzothiazol-2-one;2-propan-2-yl-1,4-dihydroisoquinolin-3-one;1-propan-2-yl-3,4-dihydroquinazolin-2-one;3-propan-2-yl-1,4-dihydroquinazolin-2-one;1-propan-2-yl-3,4-dihydro-2H-quinoline;1-propan-2-yl-3,4-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158876346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).