1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane

C96H128N16 — CID 159662144

IUPAC1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2nc1C.Cc1ccnc2ccnc(C)c12.Cc1ccnc2ccnc(C)c12.Cc1ccnc2cncc(C)c12.Cc1ccnc2nccc(C)c12.Cc1cncc2ccnc(C)c12.Cc1cncc2cncc(C)c12.Cc1nccc2ccnc(C)c12
InChIInChI=1S/8C10H10N2.8C2H6/c1-7-3-11-5-9-6-12-4-8(2)10(7)9;1-7-10-8(2)12-6-4-9(10)3-5-11-7;2*1-7-3-5-12-9-4-6-11-8(2)10(7)9;1-7-3-5-11-10-9(7)8(2)4-6-12-10;1-7-5-11-6-9-3-4-12-8(2)10(7)9;1-7-3-4-12-9-6-11-5-8(2)10(7)9;1-7-6-9-4-3-5-11-10(9)12-8(7)2;8*1-2/h8*3-6H,1-2H3;8*1-2H3
InChIKeyMSYHSFSJONNGAE-UHFFFAOYSA-N
MW1506.19 g/mol
LogP26.18
Rot. Bonds

About 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane

1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane (PubChem CID 159662144) has the molecular formula C96H128N16 and a molecular weight of 1506.19 g/mol. Its IUPAC name is 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane.

Molecular Properties

Compound Name1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane
PubChem CID159662144
Molecular FormulaC96H128N16
Molecular Weight1506.19 g/mol
Exact Mass1505.05
IUPAC Name1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2nc1C.Cc1ccnc2ccnc(C)c12.Cc1ccnc2ccnc(C)c12.Cc1ccnc2cncc(C)c12.Cc1ccnc2nccc(C)c12.Cc1cncc2ccnc(C)c12.Cc1cncc2cncc(C)c12.Cc1nccc2ccnc(C)c12
InChIInChI=1S/8C10H10N2.8C2H6/c1-7-3-11-5-9-6-12-4-8(2)10(7)9;1-7-10-8(2)12-6-4-9(10)3-5-11-7;2*1-7-3-5-12-9-4-6-11-8(2)10(7)9;1-7-3-5-11-10-9(7)8(2)4-6-12-10;1-7-5-11-6-9-3-4-12-8(2)10(7)9;1-7-3-4-12-9-6-11-5-8(2)10(7)9;1-7-6-9-4-3-5-11-10(9)12-8(7)2;8*1-2/h8*3-6H,1-2H3;8*1-2H3
InChIKeyMSYHSFSJONNGAE-UHFFFAOYSA-N
XLogP26.18
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.19
LogP ≤ 526.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane?
The IUPAC name of 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane (CID 159662144) is 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane.
What is the SMILES notation for 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane?
The canonical SMILES for 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc2cccnc2nc1C.Cc1ccnc2ccnc(C)c12.Cc1ccnc2ccnc(C)c12.Cc1ccnc2cncc(C)c12.Cc1ccnc2nccc(C)c12.Cc1cncc2ccnc(C)c12.Cc1cncc2cncc(C)c12.Cc1nccc2ccnc(C)c12.
What is the InChIKey of 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane?
The InChIKey is MSYHSFSJONNGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/8C10H10N2.8C2H6/c1-7-3-11-5-9-6-12-4-8(2)10(7)9;1-7-10-8(2)12-6-4-9(10)3-5-11-7;2*1-7-3-5-12-9-4-6-11-8(2)10(7)9;1-7-3-5-11-10-9(7)8(2)4-6-12-10;1-7-5-11-6-9-3-4-12-8(2)10(7)9;1-7-3-4-12-9-6-11-5-8(2)10(7)9;1-7-6-9-4-3-5-11-10(9)12-8(7)2;8*1-2/h8*3-6H,1-2H3;8*1-2H3.
What are the key properties of 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane?
1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane has a molecular weight of 1506.19 g/mol, XLogP of 26.18, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-2,6-naphthyridine;1,8-dimethyl-2,7-naphthyridine;2,3-dimethyl-1,8-naphthyridine;bis(4,5-dimethyl-1,6-naphthyridine);4,5-dimethyl-1,7-naphthyridine;4,5-dimethyl-1,8-naphthyridine;4,5-dimethyl-2,7-naphthyridine;ethane is sourced from PubChem (CID 159662144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).