1-propan-2-ylbenzo[e][1,3]benzoxazol-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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one

C69H81N9O8 — CID 162139011

About 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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;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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (PubChem CID 162139011) has the molecular formula C69H81N9O8 and a molecular weight of 1164.46 g/mol. Its IUPAC name is 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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;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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one
• PubChem CID: 162139011
• Molecular Formula: C69H81N9O8
• Molecular Weight: 1164.46 g/mol
• Exact Mass: 1163.62
• IUPAC Name: 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21
• InChI: InChI=1S/C14H13NO2.2C12H15NO.2C11H14N2O.C9H10N2O2/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)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;1-8(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;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8/h3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-6H,1-2H3
• InChIKey: ZJRIXGRSIWAJBM-UHFFFAOYSA-N
• XLogP: 13.82
• TPSA: 188.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1164.46
LogP ≤ 5	13.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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;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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one (CID 162139011) is 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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;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-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;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-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)N1Cc2ccccc2CC1=O.CC(C)N1Cc2ccccc2NC1=O.CC(C)n1c(=O)oc2ccc3ccccc3c21.CC(C)n1c(=O)oc2cccnc21.

What is the InChIKey of 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one?

The InChIKey is ZJRIXGRSIWAJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.2C12H15NO.2C11H14N2O.C9H10N2O2/c1-9(2)15-13-11-6-4-3-5-10(11)7-8-12(13)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;1-8(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;1-6(2)11-8-7(13-9(11)12)4-3-5-10-8/h3-9H,1-2H3;2*3-6,9H,7-8H2,1-2H3;2*3-6,8H,7H2,1-2H3,(H,12,14);3-6H,1-2H3.

What are the key properties of 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-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;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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one has a molecular weight of 1164.46 g/mol, XLogP of 13.82, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-propan-2-ylbenzo[e][1,3]benzoxazol-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-dihydroquinolin-2-one;3-propan-2-yl-[1,3]oxazolo[4,5-b]pyridin-2-one is sourced from PubChem (CID 162139011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).