ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine

C22H28N4 — CID 144598154

IUPACethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
SMILESCC.CC.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1
InChIInChI=1S/2C9H8N2.2C2H6/c1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;2*1-2/h2*2-6H,1H3;2*1-2H3
InChIKeyOHBUAERZZBRFQE-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.93
Rot. Bonds

About ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine

ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine (PubChem CID 144598154) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine.

Molecular Properties

Compound Nameethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
PubChem CID144598154
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Nameethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine
SMILESCC.CC.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1
InChIInChI=1S/2C9H8N2.2C2H6/c1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;2*1-2/h2*2-6H,1H3;2*1-2H3
InChIKeyOHBUAERZZBRFQE-UHFFFAOYSA-N
XLogP5.93
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,8-dimethyl-1,5-naphthyridine
CID 22950376
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
pyrido[2,3-c][1,5]naphthyridine
CID 44631737
ethane;1,5-naphthyridine;propane
CID 142434189
N-methyl-1,5-naphthyridin-3-amine
CID 88977984
iridium(3+);1,5-naphthyridine
CID 175728214
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
ethane;4-methylquinoline
CID 90853056
3-methoxy-8-methyl-1,5-naphthyridine
CID 67962476
ethane;3-methyl-1,8-naphthyridine
CID 90816561
4-methylsulfanyl-1,5-naphthyridine
CID 12705267
ethane;1-methylisoquinoline;4-methylisoquinoline;5-methylisoquinoline;8-methylisoquinoline;3-methylquinoline;4-methylquinoline;5-methylquinoline
CID 158608912

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine?
The IUPAC name of ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine (CID 144598154) is ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine.
What is the SMILES notation for ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine?
The canonical SMILES for ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine is CC.CC.Cc1ccnc2cccnc12.Cc1cnc2cccnc2c1.
What is the InChIKey of ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine?
The InChIKey is OHBUAERZZBRFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N2.2C2H6/c1-7-4-6-10-8-3-2-5-11-9(7)8;1-7-5-9-8(11-6-7)3-2-4-10-9;2*1-2/h2*2-6H,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine?
ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine has a molecular weight of 348.49 g/mol, XLogP of 5.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,5-naphthyridine;4-methyl-1,5-naphthyridine is sourced from PubChem (CID 144598154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).