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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline

C148H244N16O2S — CID 158555089

IUPAC3,4-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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc2C1.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCOC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C10H13N.C9H11N.2C9H7N.2C9H10O.C9H10S.2C8H6N2.C8H9N.C6H7N.2C4H5N3.23C2H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;23*1-2/h2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;2*1-6H;2,4,6H,1,3,5H2;2-5H,1H3;2*2-3H,1H3;23*1-2H3
InChIKeyHQENSFQLVLWCNG-UHFFFAOYSA-N
MW2311.76 g/mol
LogP44.78
Rot. Bonds

About 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline

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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline (PubChem CID 158555089) has the molecular formula C148H244N16O2S and a molecular weight of 2311.76 g/mol. Its IUPAC name is 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name3,4-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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
PubChem CID158555089
Molecular FormulaC148H244N16O2S
Molecular Weight2311.76 g/mol
Exact Mass2309.92
IUPAC Name3,4-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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc2C1.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCOC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2
InChIInChI=1S/C10H13N.C9H11N.2C9H7N.2C9H10O.C9H10S.2C8H6N2.C8H9N.C6H7N.2C4H5N3.23C2H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;23*1-2/h2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;2*1-6H;2,4,6H,1,3,5H2;2-5H,1H3;2*2-3H,1H3;23*1-2H3
InChIKeyHQENSFQLVLWCNG-UHFFFAOYSA-N
XLogP44.78
TPSA215.05 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002311.76
LogP ≤ 544.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

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
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
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
3,7-Bis[3,5-bis(4-tert-butylphenyl)phenyl]-2,8-dioctoxydibenzothiophene;2,9-dimethyl-4,7-diphenyl-1,10-phenanthroline;2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-3-yl]-4,6-diphenyl-1,3,5-triazine;1-phenyl-2-[3-(1-phenylbenzimidazol-2-yl)-5-(1-phenylindazol-2-ium-2-yl)phenyl]benzimidazole;2,4,6-triphenyl-1,3,5-triazine
CID 157522143
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;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
3,4-dihydro-2H-chromene;2,3-dimethyl-3H-indazol-2-ium;ethane;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline;1-methylindole;nonakis(2-methylpropane);1-methylpyrrolo[2,3-b]pyridine;pyridine;pyrimidine;quinoxaline
CID 158204838
4H-1,3-benzodioxine;cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 158365260
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;2-methylpyrazine;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;naphthalene;quinoline
CID 158512458

Frequently Asked Questions

What is the IUPAC name of 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline?
The IUPAC name of 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline (CID 158555089) is 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCc2ccccc2C1.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCOC2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCC2.c1cnc2c(c1)CCCC2.
What is the InChIKey of 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline?
The InChIKey is HQENSFQLVLWCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C9H11N.2C9H7N.2C9H10O.C9H10S.2C8H6N2.C8H9N.C6H7N.2C4H5N3.23C2H6/c1-11-7-6-9-4-2-3-5-10(9)8-11;2*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;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-3-7-4-2-6-9-8(7)5-1;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;23*1-2/h2-5H,6-8H2,1H3;3,5,7H,1-2,4,6H2;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;2*1-6H;2,4,6H,1,3,5H2;2-5H,1H3;2*2-3H,1H3;23*1-2H3.
What are the key properties of 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline?
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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline has a molecular weight of 2311.76 g/mol, XLogP of 44.78, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-methylpyridine;2-methyl-1,3,5-triazine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 158555089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).