3,4-dihydro-2H-chromene;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

C109H176N14OS — CID 158725841

IUPAC3,4-dihydro-2H-chromene;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C9H11N.2C9H7N.C9H10O.C9H10S.2C8H6N2.C6H7N.2C4H5N3.17C2H6/c2*1-2-6-9-8(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;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;17*1-2/h3,5,7H,1-2,4,6H2;2*1-7H;2*1-2,4,6H,3,5,7H2;2*1-6H;2-5H,1H3;2*2-3H,1H3;17*1-2H3
InChIKeyIKMJHTDVRMBPED-UHFFFAOYSA-N
MW1730.77 g/mol
LogP33.62
Rot. Bonds

About 3,4-dihydro-2H-chromene;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

3,4-dihydro-2H-chromene;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 (PubChem CID 158725841) has the molecular formula C109H176N14OS and a molecular weight of 1730.77 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromene;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.

Molecular Properties

Compound Name3,4-dihydro-2H-chromene;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
PubChem CID158725841
Molecular FormulaC109H176N14OS
Molecular Weight1730.77 g/mol
Exact Mass1729.39
IUPAC Name3,4-dihydro-2H-chromene;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
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCCC2
InChIInChI=1S/C9H11N.2C9H7N.C9H10O.C9H10S.2C8H6N2.C6H7N.2C4H5N3.17C2H6/c2*1-2-6-9-8(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;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;17*1-2/h3,5,7H,1-2,4,6H2;2*1-7H;2*1-2,4,6H,3,5,7H2;2*1-6H;2-5H,1H3;2*2-3H,1H3;17*1-2H3
InChIKeyIKMJHTDVRMBPED-UHFFFAOYSA-N
XLogP33.62
TPSA189.69 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001730.77
LogP ≤ 533.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3,4-dihydro-2H-chromene;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 with MolForge

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Related Compounds

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
cinnoline;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162034088
4H-1,3-benzodioxine;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;ethane;isoquinoline;quinoline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 162229941
cinnoline;ethane;isoquinoline;naphthalene;quinazoline;quinoline;quinoxaline
CID 158080804
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391
carbanide;tris(copper(1+));isoquinoline;4-methylpyridine;1,6-naphthyridine;hexakis(triphenylphosphanium)
CID 162119912
2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;bis(2,3-dihydrofuro[2,3-c]pyridine);tetrakis(2-methylpropane)
CID 159295259
ethane;tetrakis(2-methylpropane);1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline
CID 159253000
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pteridine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinazoline;quinoxaline
CID 167559744
1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazino[2,3-b]pyrazine;pyrido[2,3-b]pyrazine;pyrido[3,4-b]pyrazine;pyrido[2,3-d]pyrimidine;pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrimido[4,5-d]pyrimidine;pyrimido[5,4-d]pyrimidine;quinoxaline
CID 162024202
3,4-dihydro-2H-chromene;naphthalene
CID 144745299
3,4-dihydro-2H-chromene;ethane
CID 91076984

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromene;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?
The IUPAC name of 3,4-dihydro-2H-chromene;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 158725841) is 3,4-dihydro-2H-chromene;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.
What is the SMILES notation for 3,4-dihydro-2H-chromene;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?
The canonical SMILES for 3,4-dihydro-2H-chromene;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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccncc1.Cc1cnncn1.Cc1ncncn1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCS2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1cnc2c(c1)CCCC2.
What is the InChIKey of 3,4-dihydro-2H-chromene;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?
The InChIKey is IKMJHTDVRMBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.2C9H7N.C9H10O.C9H10S.2C8H6N2.C6H7N.2C4H5N3.17C2H6/c2*1-2-6-9-8(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;1-2-4-8-7(3-1)5-9-6-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-6-2-4-7-5-3-6;1-4-6-2-5-3-7-4;1-4-2-6-7-3-5-4;17*1-2/h3,5,7H,1-2,4,6H2;2*1-7H;2*1-2,4,6H,3,5,7H2;2*1-6H;2-5H,1H3;2*2-3H,1H3;17*1-2H3.
What are the key properties of 3,4-dihydro-2H-chromene;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?
3,4-dihydro-2H-chromene;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 has a molecular weight of 1730.77 g/mol, XLogP of 33.62, 0 rotatable bonds, 0 hydrogen bond donors, and 16 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-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 158725841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).