3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline

C92H108N12O5S — CID 158971770

About 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline

3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline (PubChem CID 158971770) has the molecular formula C92H108N12O5S and a molecular weight of 1494.02 g/mol. Its IUPAC name is 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
• PubChem CID: 158971770
• Molecular Formula: C92H108N12O5S
• Molecular Weight: 1494.02 g/mol
• Exact Mass: 1492.83
• IUPAC Name: 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
• SMILES: c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)CNCC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)NCCC2
• InChI: InChI=1S/2C9H11N.2C9H10O.3C8H10N2.3C8H9NO.C8H9NS/c3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;2*1-2-4-8-7(3-1)9-5-6-10-8/h3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);1-2,4,9H,3,5-6H2;2*1-2,4H,3,5-6H2;2*1-4,9H,5-6H2
• InChIKey: JNXILKRGPUPDTN-UHFFFAOYSA-N
• XLogP: 17.39
• TPSA: 195.67 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1494.02
LogP ≤ 5	17.39
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?

The IUPAC name of 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline (CID 158971770) is 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline.

What is the SMILES notation for 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?

The canonical SMILES for 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline is c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCCS2.c1cnc2c(c1)CCCC2.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCOC2.c1cnc2c(c1)CNCC2.c1cnc2c(c1)COCC2.c1cnc2c(c1)NCCC2.

What is the InChIKey of 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?

The InChIKey is JNXILKRGPUPDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O.3C8H10N2.3C8H9NO.C8H9NS/c3*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-7-6-10-5-3-8(7)9-4-1;1-2-7-3-5-10-6-8(7)9-4-1;2*1-2-4-8-7(3-1)9-5-6-10-8/h3,5,7H,1-2,4,6H2;1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,3,5,10H,2,4,6H2;1,3,5H,2,4,6H2,(H,9,10);1-2,4,9H,3,5-6H2;2*1-2,4H,3,5-6H2;2*1-4,9H,5-6H2.

What are the key properties of 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline?

3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline has a molecular weight of 1494.02 g/mol, XLogP of 17.39, 0 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-1,4-benzothiazine;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;7,8-dihydro-5H-pyrano[4,3-b]pyridine;1,2,3,4-tetrahydro-1,5-naphthyridine;1,2,3,4-tetrahydro-1,8-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158971770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).