cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine

C118H95N31S — CID 157407086

IUPACcinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
SMILESc1cc2nccn2cn1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnn2cccc2c1.c1ncc2[nH]cnc2n1.c1ncc2ccsc2n1
InChIInChI=1S/2C9H7N.4C8H6N2.2C8H7N.5C7H6N2.C6H5N3.C6H4N2S.C5H4N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(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;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4/h2*1-7H;4*1-6H;1-7H;1-6,9H;4*1-6H;1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,6,7,8,9)
InChIKeyBNVOENVJFXJUFQ-UHFFFAOYSA-N
MW1979.34 g/mol
LogP24.77
Rot. Bonds

About cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine

cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine (PubChem CID 157407086) has the molecular formula C118H95N31S and a molecular weight of 1979.34 g/mol. Its IUPAC name is cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Namecinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
PubChem CID157407086
Molecular FormulaC118H95N31S
Molecular Weight1979.34 g/mol
Exact Mass1977.81
IUPAC Namecinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine
SMILESc1cc2nccn2cn1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnn2cccc2c1.c1ncc2[nH]cnc2n1.c1ncc2ccsc2n1
InChIInChI=1S/2C9H7N.4C8H6N2.2C8H7N.5C7H6N2.C6H5N3.C6H4N2S.C5H4N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(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;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4/h2*1-7H;4*1-6H;1-7H;1-6,9H;4*1-6H;1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,6,7,8,9)
InChIKeyBNVOENVJFXJUFQ-UHFFFAOYSA-N
XLogP24.77
TPSA357.41 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001979.34
LogP ≤ 524.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Analyze cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine?
The IUPAC name of cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine (CID 157407086) is cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine.
What is the SMILES notation for cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine?
The canonical SMILES for cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine is c1cc2nccn2cn1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cnccc2c1.c1ccc2cnncc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnn2cccc2c1.c1ncc2[nH]cnc2n1.c1ncc2ccsc2n1.
What is the InChIKey of cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine?
The InChIKey is BNVOENVJFXJUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.4C8H6N2.2C8H7N.5C7H6N2.C6H5N3.C6H4N2S.C5H4N4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(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;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;1-3-7-4-2-6-9(7)8-5-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)5-8-9-7;1-2-7-5-9-4-3-8-6(1)9;1-2-9-6-5(1)3-7-4-8-6;1-4-5(8-2-6-1)9-3-7-4/h2*1-7H;4*1-6H;1-7H;1-6,9H;4*1-6H;1-5H,(H,8,9);1-5H;1-4H;1-3H,(H,6,7,8,9).
What are the key properties of cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine?
cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine has a molecular weight of 1979.34 g/mol, XLogP of 24.77, 0 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for cinnoline;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;isoquinoline;phthalazine;7H-purine;pyrazolo[1,5-a]pyridine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine is sourced from PubChem (CID 157407086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).