4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene

C172H172N44O4 — CID 160957656

IUPAC4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene
SMILESCc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1ccnc2nccnc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1cnccn1.Cc1cnnc2ccccc12.Cc1nccc2ccccc12.Cc1ncccn1.Cc1ncnc2ccccc12.Cc1ncnc2cccnc12.Cc1ncnc2nccnc12.Cc1nncc2ccccc12.Cn1ccc(=O)cc1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc2c1=O.Cn1cnccc1=O
InChIInChI=1S/2C10H9N.2C9H8N2O.5C9H8N2.2C8H7N3.C7H6N4.C7H8.C6H7NO.3C6H7N.C5H6N2O.6C5H6N2/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-2-3-10-8-7(6)9-4-5-11-8;1-6-8-7(11-5-10-6)3-2-4-9-8;1-5-6-7(11-4-10-5)9-3-2-8-6;1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2*2-7H,1H3;2*2-6H,1H3;5*2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;2-5H,1H3;3*2-5H,1H3;2-4H,1H3;6*2-4H,1H3
InChIKeySWPHMXVSCCNVRP-UHFFFAOYSA-N
MW2919.57 g/mol
LogP31.08
Rot. Bonds

About 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene

4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene (PubChem CID 160957656) has the molecular formula C172H172N44O4 and a molecular weight of 2919.57 g/mol. Its IUPAC name is 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene.

Molecular Properties

Compound Name4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene
PubChem CID160957656
Molecular FormulaC172H172N44O4
Molecular Weight2919.57 g/mol
Exact Mass2917.46
IUPAC Name4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene
SMILESCc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1ccnc2nccnc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1cnccn1.Cc1cnnc2ccccc12.Cc1nccc2ccccc12.Cc1ncccn1.Cc1ncnc2ccccc12.Cc1ncnc2cccnc12.Cc1ncnc2nccnc12.Cc1nncc2ccccc12.Cn1ccc(=O)cc1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc2c1=O.Cn1cnccc1=O
InChIInChI=1S/2C10H9N.2C9H8N2O.5C9H8N2.2C8H7N3.C7H6N4.C7H8.C6H7NO.3C6H7N.C5H6N2O.6C5H6N2/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-2-3-10-8-7(6)9-4-5-11-8;1-6-8-7(11-5-10-6)3-2-4-9-8;1-5-6-7(11-4-10-5)9-3-2-8-6;1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2*2-7H,1H3;2*2-6H,1H3;5*2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;2-5H,1H3;3*2-5H,1H3;2-4H,1H3;6*2-4H,1H3
InChIKeySWPHMXVSCCNVRP-UHFFFAOYSA-N
XLogP31.08
TPSA603.60 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms220
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002919.57
LogP ≤ 531.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Analyze 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene?
The IUPAC name of 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene (CID 160957656) is 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene.
What is the SMILES notation for 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene?
The canonical SMILES for 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene is Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccnc2ccccc12.Cc1ccnc2cccnc12.Cc1ccnc2ncccc12.Cc1ccnc2nccnc12.Cc1ccncc1.Cc1ccncn1.Cc1ccnnc1.Cc1cnccn1.Cc1cnccn1.Cc1cnnc2ccccc12.Cc1nccc2ccccc12.Cc1ncccn1.Cc1ncnc2ccccc12.Cc1ncnc2cccnc12.Cc1ncnc2nccnc12.Cc1nncc2ccccc12.Cn1ccc(=O)cc1.Cn1cnc(=O)c2ccccc21.Cn1cnc2ccccc2c1=O.Cn1cnccc1=O.
What is the InChIKey of 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene?
The InChIKey is SWPHMXVSCCNVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.2C9H8N2O.5C9H8N2.2C8H7N3.C7H6N4.C7H8.C6H7NO.3C6H7N.C5H6N2O.6C5H6N2/c1-8-10-5-3-2-4-9(10)6-7-11-8;1-8-6-7-11-10-5-3-2-4-9(8)10;1-11-6-10-9(12)7-4-2-3-5-8(7)11;1-11-6-10-8-5-3-2-4-7(8)9(11)12;1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-4-6-11-9-8(7)3-2-5-10-9;1-7-8-4-2-3-5-9(8)11-6-10-7;1-7-9-5-3-2-4-8(9)6-10-11-7;1-7-6-10-11-9-5-3-2-4-8(7)9;1-6-2-3-10-8-7(6)9-4-5-11-8;1-6-8-7(11-5-10-6)3-2-4-9-8;1-5-6-7(11-4-10-5)9-3-2-8-6;1-7-5-3-2-4-6-7;1-7-4-2-6(8)3-5-7;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-7-4-6-3-2-5(7)8;2*1-5-4-6-2-3-7-5;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5;1-5-6-3-2-4-7-5;1-5-3-2-4-6-7-5/h2*2-7H,1H3;2*2-6H,1H3;5*2-6H,1H3;2*2-5H,1H3;2-4H,1H3;2-6H,1H3;2-5H,1H3;3*2-5H,1H3;2-4H,1H3;6*2-4H,1H3.
What are the key properties of 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene?
4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene has a molecular weight of 2919.57 g/mol, XLogP of 31.08, 0 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcinnoline;1-methylisoquinoline;4-methyl-1,5-naphthyridine;4-methyl-1,8-naphthyridine;1-methylphthalazine;4-methylpteridine;bis(2-methylpyrazine);3-methylpyridazine;4-methylpyridazine;2-methylpyridine;3-methylpyridine;4-methylpyridine;1-methylpyridin-4-one;8-methylpyrido[2,3-b]pyrazine;4-methylpyrido[3,2-d]pyrimidine;2-methylpyrimidine;4-methylpyrimidine;3-methylpyrimidin-4-one;4-methylquinazoline;1-methylquinazolin-4-one;3-methylquinazolin-4-one;4-methylquinoline;toluene is sourced from PubChem (CID 160957656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).