cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C124H201N13OS — CID 159015259

About cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 159015259) has the molecular formula C124H201N13OS and a molecular weight of 1922.13 g/mol. Its IUPAC name is cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

Molecular Properties

• Compound Name: cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• PubChem CID: 159015259
• Molecular Formula: C124H201N13OS
• Molecular Weight: 1922.13 g/mol
• Exact Mass: 1920.58
• IUPAC Name: cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCNC2.c1ccc2cnncc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2c(c1)CCC2.c1cnc2ncccc2c1
• InChI: InChI=1S/2C9H11N.C9H10O.C9H10S.5C8H6N2.C8H9N.20C2H6/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;1-3-7-4-2-6-10-8(7)9-5-1;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)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;20*1-2/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;2*1-2,4,6H,3,5,7H2;5*1-6H;2,4,6H,1,3,5H2;20*1-2H3
• InChIKey: JSZSZDGHJROYJB-UHFFFAOYSA-N
• XLogP: 38.36
• TPSA: 175.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.13
LogP ≤ 5	38.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The IUPAC name of cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 159015259) is cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline.

What is the SMILES notation for cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The canonical SMILES for cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCNC2.c1ccc2cnncc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2c(c1)CCC2.c1cnc2ncccc2c1.

What is the InChIKey of cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

The InChIKey is JSZSZDGHJROYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.C9H10O.C9H10S.5C8H6N2.C8H9N.20C2H6/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;1-3-7-4-2-6-10-8(7)9-5-1;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)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;1-3-7-4-2-6-9-8(7)5-1;20*1-2/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;2*1-2,4,6H,3,5,7H2;5*1-6H;2,4,6H,1,3,5H2;20*1-2H3.

What are the key properties of cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline?

cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline has a molecular weight of 1922.13 g/mol, XLogP of 38.36, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cinnoline;3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159015259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).