8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline

C144H177N11O14 — CID 159923096

IUPAC8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O.CC(C)(C)c1ccc2c(c1)CCC(=O)C2.CC(C)(C)c1ccc2c(c1)NCC(=O)O2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CCCN1C(=O)c2ccc(C(C)(C)C)cc2C1=O.CN1C(=O)c2ccc(C(C)(C)C)cc2C1=O
InChIInChI=1S/C17H16N2O2.C15H19NO2.C14H18O.C13H15NO2.C13H19N.C13H16O2.C13H16O.2C12H15NO2.2C11H14N2/c1-17(2,3)11-7-8-12-13(10-11)16(21)19(15(12)20)14-6-4-5-9-18-14;1-5-8-16-13(17)11-7-6-10(15(2,3)4)9-12(11)14(16)18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)8-5-6-9-10(7-8)12(16)14(4)11(9)15;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-7-11(14)15-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9/h4-10H,1-3H3;6-7,9H,5,8H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;5-7H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6,13H,7H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyNYQWXMYFDJYUJW-UHFFFAOYSA-N
MW2286.06 g/mol
LogP30.72
Rot. Bonds3

About 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline

8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159923096) has the molecular formula C144H177N11O14 and a molecular weight of 2286.06 g/mol. Its IUPAC name is 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID159923096
Molecular FormulaC144H177N11O14
Molecular Weight2286.06 g/mol
Exact Mass2284.35
IUPAC Name8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O.CC(C)(C)c1ccc2c(c1)CCC(=O)C2.CC(C)(C)c1ccc2c(c1)NCC(=O)O2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CCCN1C(=O)c2ccc(C(C)(C)C)cc2C1=O.CN1C(=O)c2ccc(C(C)(C)C)cc2C1=O
InChIInChI=1S/C17H16N2O2.C15H19NO2.C14H18O.C13H15NO2.C13H19N.C13H16O2.C13H16O.2C12H15NO2.2C11H14N2/c1-17(2,3)11-7-8-12-13(10-11)16(21)19(15(12)20)14-6-4-5-9-18-14;1-5-8-16-13(17)11-7-6-10(15(2,3)4)9-12(11)14(16)18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)8-5-6-9-10(7-8)12(16)14(4)11(9)15;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-7-11(14)15-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9/h4-10H,1-3H3;6-7,9H,5,8H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;5-7H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6,13H,7H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13)
InChIKeyNYQWXMYFDJYUJW-UHFFFAOYSA-N
XLogP30.72
TPSA331.52 Ų
H-Bond Donors5
H-Bond Acceptors19
Rotatable Bonds3
Heavy Atoms169
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.06
LogP ≤ 530.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 159923096) is 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc2c(c1)C(=O)CC2.CC(C)(C)c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O.CC(C)(C)c1ccc2c(c1)CCC(=O)C2.CC(C)(C)c1ccc2c(c1)NCC(=O)O2.CC(C)(C)c1ccc2c(c1)NCCC2.CC(C)(C)c1ccc2c(c1)OCC(=O)C2.CC(C)(C)c1ccc2cc[nH]c2n1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1OCC(=O)N2.CCCN1C(=O)c2ccc(C(C)(C)C)cc2C1=O.CN1C(=O)c2ccc(C(C)(C)C)cc2C1=O.
What is the InChIKey of 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NYQWXMYFDJYUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.C15H19NO2.C14H18O.C13H15NO2.C13H19N.C13H16O2.C13H16O.2C12H15NO2.2C11H14N2/c1-17(2,3)11-7-8-12-13(10-11)16(21)19(15(12)20)14-6-4-5-9-18-14;1-5-8-16-13(17)11-7-6-10(15(2,3)4)9-12(11)14(16)18;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)8-5-6-9-10(7-8)12(16)14(4)11(9)15;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)10-5-4-9-6-11(14)8-15-12(9)7-10;1-13(2,3)10-6-4-9-5-7-12(14)11(9)8-10;1-12(2,3)8-4-5-10-9(6-8)13-7-11(14)15-10;1-12(2,3)8-5-4-6-9-11(8)15-7-10(14)13-9;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9;1-11(2,3)9-5-4-8-6-7-12-10(8)13-9/h4-10H,1-3H3;6-7,9H,5,8H2,1-4H3;4,6,8H,5,7,9H2,1-3H3;5-7H,1-4H3;6-7,9,14H,4-5,8H2,1-3H3;4-5,7H,6,8H2,1-3H3;4,6,8H,5,7H2,1-3H3;4-6,13H,7H2,1-3H3;4-6H,7H2,1-3H3,(H,13,14);2*4-7H,1-3H3,(H,12,13).
What are the key properties of 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline?
8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2286.06 g/mol, XLogP of 30.72, 3 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4H-1,4-benzoxazin-3-one;7-tert-butyl-4H-chromen-3-one;6-tert-butyl-3,4-dihydro-1,4-benzoxazin-2-one;6-tert-butyl-2,3-dihydroinden-1-one;6-tert-butyl-3,4-dihydro-1H-naphthalen-2-one;6-tert-butyl-1H-indazole;5-tert-butyl-2-methylisoindole-1,3-dione;5-tert-butyl-2-propylisoindole-1,3-dione;5-tert-butyl-2-pyridin-2-ylisoindole-1,3-dione;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;7-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159923096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).