1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline

C108H97N25O3 — CID 157181879

About 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline

1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline (PubChem CID 157181879) has the molecular formula C108H97N25O3 and a molecular weight of 1793.14 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline
• PubChem CID: 157181879
• Molecular Formula: C108H97N25O3
• Molecular Weight: 1793.14 g/mol
• Exact Mass: 1791.82
• IUPAC Name: 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline
• SMILES: c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2nccnc2cn1.c1cc2ncncc2cn1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1cnc2cncnc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1
• InChI: InChI=1S/C9H11N.C9H10O.2C8H6N2.2C8H9N.2C8H8O.6C7H5N3/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(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;1-2-6-7(9-3-1)10-5-4-8-6/h1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;2*1-6H;2*1-4,9H,5-6H2;2*1-4H,5-6H2;6*1-5H
• InChIKey: AOQURZFPCVJTGM-UHFFFAOYSA-N
• XLogP: 19.75
• TPSA: 347.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1793.14
LogP ≤ 5	19.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline?

The IUPAC name of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline (CID 157181879) is 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline is c1cc2ccncc2cn1.c1cc2cnccc2cn1.c1cc2cncnc2cn1.c1cc2nccnc2cn1.c1cc2ncncc2cn1.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CNC2.c1ccc2c(c1)COC2.c1cnc2cncnc2c1.c1cnc2nccnc2c1.c1cnc2ncncc2c1.

What is the InChIKey of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline?

The InChIKey is AOQURZFPCVJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H10O.2C8H6N2.2C8H9N.2C8H8O.6C7H5N3/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-3-9-6-8-2-4-10-5-7(1)8;1-3-9-5-8-6-10-4-2-7(1)8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(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;1-2-6-7(9-3-1)10-5-4-8-6/h1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;2*1-6H;2*1-4,9H,5-6H2;2*1-4H,5-6H2;6*1-5H.

What are the key properties of 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline?

1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline has a molecular weight of 1793.14 g/mol, XLogP of 19.75, 0 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;2,6-naphthyridine;2,7-naphthyridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 157181879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).