cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine

C149H232N17OS+ — CID 158856994

IUPACcinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[n+]2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCS2.c1cnc2ncccc2c1
InChIInChI=1S/C10H8.C9H8N.2C9H7N.C8H10N2.5C8H6N2.C8H9NO.C8H9NS.24C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*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;2*1-3-7-4-2-6-10-8(7)9-5-1;24*1-2/h2*1-8H;2*1-7H;1,3,5H,2,4,6H2,(H,9,10);5*1-6H;2*1,3,5H,2,4,6H2;24*1-2H3/q;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFJPGEITZNTZNIU-UHFFFAOYSA-N
MW2309.68 g/mol
LogP46.48
Rot. Bonds

About cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine

cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 158856994) has the molecular formula C149H232N17OS+ and a molecular weight of 2309.68 g/mol. Its IUPAC name is cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Namecinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID158856994
Molecular FormulaC149H232N17OS+
Molecular Weight2309.68 g/mol
Exact Mass2307.83
IUPAC Namecinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[n+]2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCS2.c1cnc2ncccc2c1
InChIInChI=1S/C10H8.C9H8N.2C9H7N.C8H10N2.5C8H6N2.C8H9NO.C8H9NS.24C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*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;2*1-3-7-4-2-6-10-8(7)9-5-1;24*1-2/h2*1-8H;2*1-7H;1,3,5H,2,4,6H2,(H,9,10);5*1-6H;2*1,3,5H,2,4,6H2;24*1-2H3/q;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyFJPGEITZNTZNIU-UHFFFAOYSA-N
XLogP46.48
TPSA218.71 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002309.68
LogP ≤ 546.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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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
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;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
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;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
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
4H-1,3-benzodioxine;cinnoline;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 158558444
3,4-dihydro-2H-chromene;3,4-dihydro-2H-thiochromene;ethane;isoquinoline;4-methylpyridine;5-methyl-1,2,4-triazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroquinoline;1,3,5-triazine
CID 158691128
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
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

Frequently Asked Questions

What is the IUPAC name of cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine (CID 158856994) is cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc[n+]2ccccc2c1.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2c(c1)CCCN2.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCCS2.c1cnc2ncccc2c1.
What is the InChIKey of cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is FJPGEITZNTZNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H8N.2C9H7N.C8H10N2.5C8H6N2.C8H9NO.C8H9NS.24C2H6/c1-2-6-10-8-4-3-7-9(10)5-1;1-3-7-10-8-4-2-6-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;2*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;2*1-3-7-4-2-6-10-8(7)9-5-1;24*1-2/h2*1-8H;2*1-7H;1,3,5H,2,4,6H2,(H,9,10);5*1-6H;2*1,3,5H,2,4,6H2;24*1-2H3/q;+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine?
cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 2309.68 g/mol, XLogP of 46.48, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-thiopyrano[2,3-b]pyridine;ethane;isoquinoline;naphthalene;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinolizin-5-ium;quinoxaline;1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 158856994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).