1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline

C246H348N38O7 — CID 158546531

About 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline

1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline (PubChem CID 158546531) has the molecular formula C246H348N38O7 and a molecular weight of 3949.75 g/mol. Its IUPAC name is 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline.

Molecular Properties

• Compound Name: 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline
• PubChem CID: 158546531
• Molecular Formula: C246H348N38O7
• Molecular Weight: 3949.75 g/mol
• Exact Mass: 3946.80
• IUPAC Name: 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline
• SMILES: CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2[nH]ccc2cn1.c1cc2ccoc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2nccnc2cn1.c1cc2ncncc2cn1.c1cc2occc2cn1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2cncnc2c1.c1cnc2cnncc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1.c1cnc2occc2c1
• InChI: InChI=1S/C9H7N.3C8H6N2.C8H6O.7C7H5N3.2C7H6N2.6C7H5NO.20C5H12/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-8-5-7-6(1)9-3-4-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-4-9-10-5-7(6)8-3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;20*1-5(2,3)4/h1-7H;3*1-6H;1-6H;7*1-5H;2*1-5,9H;6*1-5H;20*1-4H3
• InChIKey: HPEIRIPKZVUWGM-UHFFFAOYSA-N
• XLogP: 71.87
• TPSA: 587.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 43
• Heavy Atoms: 291
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3949.75
LogP ≤ 5	71.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline?

The IUPAC name of 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline (CID 158546531) is 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline.

What is the SMILES notation for 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline?

The canonical SMILES for 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1cc2[nH]ccc2cn1.c1cc2ccoc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2nccnc2cn1.c1cc2ncncc2cn1.c1cc2occc2cn1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1cnc2cc[nH]c2c1.c1cnc2ccoc2c1.c1cnc2cncnc2c1.c1cnc2cnncc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1.c1cnc2occc2c1.

What is the InChIKey of 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline?

The InChIKey is HPEIRIPKZVUWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.3C8H6N2.C8H6O.7C7H5N3.2C7H6N2.6C7H5NO.20C5H12/c1-2-4-9-7-10-6-5-8(9)3-1;1-3-9-6-8-2-4-10-5-7(1)8;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-6-10-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-8-3-6-4-9-5-10-7(1)6;1-2-8-4-7-6(1)3-9-5-10-7;1-2-8-5-7-6(1)9-3-4-10-7;1-2-6-7(9-3-1)4-8-5-10-6;1-2-6-4-8-5-10-7(6)9-3-1;1-2-6-4-9-10-5-7(6)8-3-1;1-2-6-7(9-3-1)10-5-4-8-6;1-4-9-7-2-3-8-5-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;20*1-5(2,3)4/h1-7H;3*1-6H;1-6H;7*1-5H;2*1-5,9H;6*1-5H;20*1-4H3.

What are the key properties of 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline?

1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline has a molecular weight of 3949.75 g/mol, XLogP of 71.87, 0 rotatable bonds, 2 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzofuran;1,2-benzoxazole;1,3-benzoxazole;icosakis(2,2-dimethylpropane);furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;isoquinoline;2,6-naphthyridine;phthalazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyridazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[3,2-c]pyridine;quinazoline is sourced from PubChem (CID 158546531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).