3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline

C83H74N16 — CID 159073131

IUPAC3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
SMILESCc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2n1.Cc1ccc2ccncc2n1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1
InChIInChI=1S/2C10H9N.7C9H8N2/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-2-3-8-4-5-10-6-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-7H,1H3;7*2-6H,1H3
InChIKeyJZXLGFWTNOWXFE-UHFFFAOYSA-N
MW1295.62 g/mol
LogP18.65
Rot. Bonds

About 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline

3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline (PubChem CID 159073131) has the molecular formula C83H74N16 and a molecular weight of 1295.62 g/mol. Its IUPAC name is 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline.

Molecular Properties

Compound Name3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
PubChem CID159073131
Molecular FormulaC83H74N16
Molecular Weight1295.62 g/mol
Exact Mass1294.63
IUPAC Name3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline
SMILESCc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2n1.Cc1ccc2ccncc2n1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1
InChIInChI=1S/2C10H9N.7C9H8N2/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-2-3-8-4-5-10-6-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-7H,1H3;7*2-6H,1H3
InChIKeyJZXLGFWTNOWXFE-UHFFFAOYSA-N
XLogP18.65
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001295.62
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline with MolForge

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Related Compounds

ethane;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;3-methyl-1,8-naphthyridine;3-methyl-2,6-naphthyridine;3-methyl-2,7-naphthyridine;6-methyl-1,7-naphthyridine;7-methyl-1,6-naphthyridine
CID 158451285
ethane;1-methylisoquinoline;3-methylisoquinoline;6-methylisoquinoline;7-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methylquinazoline;2-methylquinoline;3-methylquinoline;6-methylquinoline;7-methylquinoline;2-methylquinoxaline
CID 157224388
dilithium;carbanide;2,6-dimethyl-1,5-naphthyridine;2,7-dimethyl-1,8-naphthyridine;2-methyl-1,5-naphthyridine;2-methyl-1,8-naphthyridine
CID 161266396
2-methyl-1,7-naphthyridine;3-methyl-1,7-naphthyridine;4-methyl-1,7-naphthyridine;5-methyl-1,7-naphthyridine;6-methyl-1,7-naphthyridine;8-methyl-1,7-naphthyridine
CID 159437852
acridine;isoquinoline;phenanthridine;quinoline
CID 159436284
ethane;1,7-naphthyridine;quinoline
CID 145375138
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
2-methylquinazoline
CID 588987
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 157191671
ethane;1-methylisoquinoline;3-methylisoquinoline;4-methylisoquinoline;6-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline;6-methylquinoline
CID 158322819
cinnoline;ethane;isoquinoline;naphthalene;1,5-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
CID 158115391

Frequently Asked Questions

What is the IUPAC name of 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline?
The IUPAC name of 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline (CID 159073131) is 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline.
What is the SMILES notation for 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline?
The canonical SMILES for 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline is Cc1cc2ccccc2cn1.Cc1cc2cccnc2cn1.Cc1ccc2ccccc2n1.Cc1ccc2cccnc2n1.Cc1ccc2ccncc2n1.Cc1ccc2cnccc2n1.Cc1ccc2ncccc2n1.Cc1cnc2ccccc2n1.Cc1ncc2ccccc2n1.
What is the InChIKey of 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline?
The InChIKey is JZXLGFWTNOWXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9N.7C9H8N2/c1-8-6-9-4-2-3-5-10(9)7-11-8;1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-2-3-8-6-10-5-4-9(8)11-7;1-7-2-3-8-4-5-10-6-9(8)11-7;1-7-4-5-8-9(11-7)3-2-6-10-8;1-7-4-5-8-3-2-6-10-9(8)11-7;1-7-5-8-3-2-4-10-9(8)6-11-7;1-7-10-6-8-4-2-3-5-9(8)11-7;1-7-6-10-8-4-2-3-5-9(8)11-7/h2*2-7H,1H3;7*2-6H,1H3.
What are the key properties of 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline?
3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline has a molecular weight of 1295.62 g/mol, XLogP of 18.65, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylisoquinoline;2-methyl-1,5-naphthyridine;2-methyl-1,6-naphthyridine;2-methyl-1,7-naphthyridine;2-methyl-1,8-naphthyridine;6-methyl-1,7-naphthyridine;2-methylquinazoline;2-methylquinoline;2-methylquinoxaline is sourced from PubChem (CID 159073131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).