ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline

C138H178N14 — CID 158740820

IUPACethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1cccnc12.Cc1ccc2ccc3ccccc3c2n1.Cc1ccc2ncc3cccnc3c2c1.Cc1cccc2c1ncc1cccnc12.Cc1ccnc2c1cnc1ccccc12.Cc1cnc2c(ccc3ccccc32)c1.Cc1cnc2c(cnc3ccccc32)c1.Cc1nc2ccccc2c2ncccc12
InChIInChI=1S/2C14H11N.6C13H10N2.16C2H6/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15-10;1-9-4-2-6-11-12(9)15-8-10-5-3-7-14-13(10)11;1-9-4-5-12-11(7-9)13-10(8-15-12)3-2-6-14-13;1-9-4-5-11-12(7-9)15-8-10-3-2-6-14-13(10)11;1-9-10-6-4-8-14-13(10)11-5-2-3-7-12(11)15-9;1-9-6-10-8-14-12-5-3-2-4-11(12)13(10)15-7-9;1-9-6-7-14-13-10-4-2-3-5-12(10)15-8-11(9)13;16*1-2/h2*2-9H,1H3;6*2-8H,1H3;16*1-2H3
InChIKeyIMGRLXAYPQBGRM-UHFFFAOYSA-N
MW2033.04 g/mol
LogP42.36
Rot. Bonds

About ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline

ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline (PubChem CID 158740820) has the molecular formula C138H178N14 and a molecular weight of 2033.04 g/mol. Its IUPAC name is ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline.

Molecular Properties

Compound Nameethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
PubChem CID158740820
Molecular FormulaC138H178N14
Molecular Weight2033.04 g/mol
Exact Mass2031.44
IUPAC Nameethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1cccnc12.Cc1ccc2ccc3ccccc3c2n1.Cc1ccc2ncc3cccnc3c2c1.Cc1cccc2c1ncc1cccnc12.Cc1ccnc2c1cnc1ccccc12.Cc1cnc2c(ccc3ccccc32)c1.Cc1cnc2c(cnc3ccccc32)c1.Cc1nc2ccccc2c2ncccc12
InChIInChI=1S/2C14H11N.6C13H10N2.16C2H6/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15-10;1-9-4-2-6-11-12(9)15-8-10-5-3-7-14-13(10)11;1-9-4-5-12-11(7-9)13-10(8-15-12)3-2-6-14-13;1-9-4-5-11-12(7-9)15-8-10-3-2-6-14-13(10)11;1-9-10-6-4-8-14-13(10)11-5-2-3-7-12(11)15-9;1-9-6-10-8-14-12-5-3-2-4-11(12)13(10)15-7-9;1-9-6-7-14-13-10-4-2-3-5-12(10)15-8-11(9)13;16*1-2/h2*2-9H,1H3;6*2-8H,1H3;16*1-2H3
InChIKeyIMGRLXAYPQBGRM-UHFFFAOYSA-N
XLogP42.36
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002033.04
LogP ≤ 542.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline with MolForge

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Related Compounds

ethane;4-methylphenanthridine;7-methylphenanthridine;8-methylphenanthridine;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161402197
ethane;2-methyl-1,5-naphthyridine;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine;2-methylphenanthridine;3-methylphenanthridine;6-methylphenanthridine;8-methylphenanthridine;9-methylphenanthridine
CID 159182420
2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;5,6-dimethyl-1,10-phenanthroline;methane
CID 160893139
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
2,7-dimethylquinoline;3,7-dimethylquinoline;4,7-dimethylquinoline;5,8-dimethylquinoline;6,8-dimethylquinoline;2,6-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline
CID 159538435
2,3-dimethylacridine;2,6-dimethylacridine;2,7-dimethylacridine;2,9-dimethylacridine;2,9-dimethyl-1,10-phenanthroline;3,8-dimethyl-1,10-phenanthroline;4,7-dimethyl-1,10-phenanthroline;2,3-dimethylquinoxaline;2,6-dimethylquinoxaline;2,8-dimethylquinoxaline;5,8-dimethylquinoxaline;6,7-dimethylquinoxaline;2-methyl-6-(6-methyl-2-pyridinyl)pyridine;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;5-methyl-2-(5-methyl-2-pyridinyl)pyridine
CID 159458035
2,9-dimethyl-1,7-phenanthroline
CID 66758842
1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline;8-methylquinoline
CID 159034817
bis(2,3-dimethylimidazo[1,2-a]pyridine);ethane;2-methyl-1,10-phenanthroline;3-methyl-1,10-phenanthroline;4-methyl-1,10-phenanthroline;5-methyl-1,10-phenanthroline
CID 161472267
2,3,7-trimethyl-1,10-phenanthroline;2,3,8-trimethyl-1,10-phenanthroline;2,3,9-trimethyl-1,10-phenanthroline;2,7,8-trimethyl-1,10-phenanthroline;2,3,4-trimethylquinoline;2,3,5-trimethylquinoline;2,3,6-trimethylquinoline;2,3,7-trimethylquinoline;2,3,8-trimethylquinoline;3,4,5-trimethylquinoline;3,4,6-trimethylquinoline;3,4,7-trimethylquinoline;2,3,5-trimethylquinoxaline;2,3,6-trimethylquinoxaline;2,6,7-trimethylquinoxaline;5,6,7-trimethylquinoxaline;5,6,8-trimethylquinoxaline
CID 161372970
3-methylfluoranthene;3-methyl-1,7-phenanthroline
CID 175072403
bis(6,8-dimethyl-4-propan-2-ylquinoline);2,6-dimethylquinoline;tris(6,8-dimethylquinoline);methane;hexakis(2-methylpropane);6-methyl-4-propan-2-ylquinoline;6-methyl-4-propan-2-ylquinoline-8-carboxylic acid;3-methylquinoline;2,6,8-trimethylquinoline
CID 167596788

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline?
The IUPAC name of ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline (CID 158740820) is ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline.
What is the SMILES notation for ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline?
The canonical SMILES for ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc2c(c1)ncc1cccnc12.Cc1ccc2ccc3ccccc3c2n1.Cc1ccc2ncc3cccnc3c2c1.Cc1cccc2c1ncc1cccnc12.Cc1ccnc2c1cnc1ccccc12.Cc1cnc2c(ccc3ccccc32)c1.Cc1cnc2c(cnc3ccccc32)c1.Cc1nc2ccccc2c2ncccc12.
What is the InChIKey of ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline?
The InChIKey is IMGRLXAYPQBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11N.6C13H10N2.16C2H6/c1-10-8-12-7-6-11-4-2-3-5-13(11)14(12)15-9-10;1-10-6-7-12-9-8-11-4-2-3-5-13(11)14(12)15-10;1-9-4-2-6-11-12(9)15-8-10-5-3-7-14-13(10)11;1-9-4-5-12-11(7-9)13-10(8-15-12)3-2-6-14-13;1-9-4-5-11-12(7-9)15-8-10-3-2-6-14-13(10)11;1-9-10-6-4-8-14-13(10)11-5-2-3-7-12(11)15-9;1-9-6-10-8-14-12-5-3-2-4-11(12)13(10)15-7-9;1-9-6-7-14-13-10-4-2-3-5-12(10)15-8-11(9)13;16*1-2/h2*2-9H,1H3;6*2-8H,1H3;16*1-2H3.
What are the key properties of ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline?
ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline has a molecular weight of 2033.04 g/mol, XLogP of 42.36, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylbenzo[h][1,6]naphthyridine;4-methylbenzo[h][1,6]naphthyridine;5-methylbenzo[h][1,6]naphthyridine;7-methylbenzo[h][1,6]naphthyridine;8-methylbenzo[h][1,6]naphthyridine;9-methylbenzo[h][1,6]naphthyridine;2-methylbenzo[h]quinoline;3-methylbenzo[h]quinoline is sourced from PubChem (CID 158740820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).