3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline

C98H163N19OS — CID 162196302

About 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline

3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline (PubChem CID 162196302) has the molecular formula C98H163N19OS and a molecular weight of 1655.58 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline
• PubChem CID: 162196302
• Molecular Formula: C98H163N19OS
• Molecular Weight: 1655.58 g/mol
• Exact Mass: 1654.30
• IUPAC Name: 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnn1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2cnccc2c1.c1ccc2ncccc2c1
• InChI: InChI=1S/2C9H7N.C9H10O.C9H10S.C6H7N.2C5H6N2.4C4H5N3.15C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;15*1-2/h2*1-7H;2*1-2,4,6H,3,5,7H2;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;15*1-2H3
• InChIKey: ZQZFGSOCKVCMPW-UHFFFAOYSA-N
• XLogP: 28.28
• TPSA: 254.14 Ų
• H-Bond Acceptors: 21
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1655.58
LogP ≤ 5	28.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline?

The IUPAC name of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline (CID 162196302) is 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline.

What is the SMILES notation for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline?

The canonical SMILES for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cncnn1.Cc1cnncn1.Cc1nccnn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.

What is the InChIKey of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline?

The InChIKey is ZQZFGSOCKVCMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C9H10O.C9H10S.C6H7N.2C5H6N2.4C4H5N3.15C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*1-2-6-9-8(4-1)5-3-7-10-9;1-6-2-4-7-5-3-6;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;1-4-2-5-3-6-7-4;1-4-5-2-3-6-7-4;15*1-2/h2*1-7H;2*1-2,4,6H,3,5,7H2;2-5H,1H3;2*2-4H,1H3;4*2-3H,1H3;15*1-2H3.

What are the key properties of 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline?

3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline has a molecular weight of 1655.58 g/mol, XLogP of 28.28, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;3-methyl-1,2,4-triazine;5-methyl-1,2,4-triazine;6-methyl-1,2,4-triazine;quinoline is sourced from PubChem (CID 162196302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).