cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline

C138H224N12O2S2 — CID 158703795

IUPACcinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESCC.CC.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.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2cnncc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C9H11N.2C9H10O.2C9H10S.5C8H6N2.22C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(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;22*1-2/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;5*1-6H;22*1-2H3
InChIKeyIHWGTTYTYIMGPG-UHFFFAOYSA-N
MW2147.53 g/mol
LogP43.07
Rot. Bonds

About cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (PubChem CID 158703795) has the molecular formula C138H224N12O2S2 and a molecular weight of 2147.53 g/mol. Its IUPAC name is cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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 Namecinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
PubChem CID158703795
Molecular FormulaC138H224N12O2S2
Molecular Weight2147.53 g/mol
Exact Mass2145.72
IUPAC Namecinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline
SMILESCC.CC.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.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2cnncc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1
InChIInChI=1S/2C9H11N.2C9H10O.2C9H10S.5C8H6N2.22C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(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;22*1-2/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;5*1-6H;22*1-2H3
InChIKeyIHWGTTYTYIMGPG-UHFFFAOYSA-N
XLogP43.07
TPSA171.42 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.53
LogP ≤ 543.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(1-oxa-3lambda4-thiacyclohexa-3,5-dien-3-yl)-3-phenoxathiin-1-yl-1-phthalazin-1-yl-6-piperazin-1-yl-8-piperidin-1-yl-2-pteridin-2-yl-7H-purin-2-yl]-10H-phenoxazine
CID 141432630
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;naphthalene
CID 157062422
4H-1,3-benzodioxine;cinnoline;2,3-dihydro-1,4-benzodioxine;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 157079146
2,3-ditert-butyl-4H-chromene;3,4-ditert-butyl-2H-chromene;bis(3,4-ditert-butylcinnoline);4,5-ditert-butyl-2,3-dihydro-1H-indazole;bis(2,3-ditert-butylpyrido[2,3-b]pyrazine);6,7-ditert-butylpyrido[2,3-b]pyrazine;3,4-ditert-butylpyrido[3,2-c]pyridazine;bis(5,6-ditert-butylpyrido[2,3-c]pyridazine);5,6-ditert-butylpyrido[3,4-c]pyridazine;6,7-ditert-butylpyrido[3,2-c]pyridazine;7,8-ditert-butylpyrido[4,3-c]pyridazine;6,7-ditert-butylpyrido[3,2-d]pyrimidine;7,8-ditert-butylpyrido[3,2-d]pyrimidine;7,8-ditert-butylpyrido[4,3-d]pyrimidine;2,3-ditert-butylquinoxaline
CID 157085353
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;quinazoline;quinoline;1,2,3,4-tetrahydroisoquinoline;5,6,7,8-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
CID 157265863
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157304572
3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;2-methyl-3,4-dihydro-1H-isoquinoline;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157656734
3,4-dihydro-2H-chromene;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157711996
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;5-methyl-1,2,4-triazine;naphthalene;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 157803464
4H-1,3-benzodioxine;3,4-dihydro-1H-2,1-benzothiazine;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline;5,6,7,8-tetrahydroquinoline
CID 157822656
4H-1,3-benzodioxine;cinnoline;3,4-dihydro-1H-isochromene;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 157860823
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridazine;4-methylpyridine;4-methylpyrimidine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
CID 158098536

Frequently Asked Questions

What is the IUPAC name of cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;ethane;1,8-naphthyridine;phthalazine;quinazoline;quinoxaline;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroquinoline (CID 158703795) is cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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.CC.CC.c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCNC2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCSC2.c1ccc2cnncc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2ncccc2c1.
What is the InChIKey of cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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 IHWGTTYTYIMGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11N.2C9H10O.2C9H10S.5C8H6N2.22C2H6/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-4-2-6-10-8(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;22*1-2/h1-2,4,6,10H,3,5,7H2;1-4,10H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;5*1-6H;22*1-2H3.
What are the key properties of cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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 2147.53 g/mol, XLogP of 43.07, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;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 158703795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).