3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane

C72H96N12 — CID 157148053

IUPAC3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)ncc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2nnc(C)cc2c1.Cc1cnc2cc(C)ncc2c1
InChIInChI=1S/6C10H10N2.6C2H6/c1-7-3-9-6-11-8(2)4-10(9)12-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-12-10;2*1-7-3-4-9-10(5-7)12-8(2)6-11-9;6*1-2/h6*3-6H,1-2H3;6*1-2H3
InChIKeyAKXVLBWIZVCHPC-UHFFFAOYSA-N
MW1129.64 g/mol
LogP19.64
Rot. Bonds

About 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane

3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane (PubChem CID 157148053) has the molecular formula C72H96N12 and a molecular weight of 1129.64 g/mol. Its IUPAC name is 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane.

Molecular Properties

Compound Name3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane
PubChem CID157148053
Molecular FormulaC72H96N12
Molecular Weight1129.64 g/mol
Exact Mass1128.79
IUPAC Name3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane
SMILESCC.CC.CC.CC.CC.CC.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)ncc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2nnc(C)cc2c1.Cc1cnc2cc(C)ncc2c1
InChIInChI=1S/6C10H10N2.6C2H6/c1-7-3-9-6-11-8(2)4-10(9)12-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-12-10;2*1-7-3-4-9-10(5-7)12-8(2)6-11-9;6*1-2/h6*3-6H,1-2H3;6*1-2H3
InChIKeyAKXVLBWIZVCHPC-UHFFFAOYSA-N
XLogP19.64
TPSA154.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001129.64
LogP ≤ 519.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane?
The IUPAC name of 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane (CID 157148053) is 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane.
What is the SMILES notation for 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane?
The canonical SMILES for 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane is CC.CC.CC.CC.CC.CC.Cc1ccc2cnc(C)nc2c1.Cc1ccc2nc(C)ncc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2ncc(C)nc2c1.Cc1ccc2nnc(C)cc2c1.Cc1cnc2cc(C)ncc2c1.
What is the InChIKey of 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane?
The InChIKey is AKXVLBWIZVCHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/6C10H10N2.6C2H6/c1-7-3-9-6-11-8(2)4-10(9)12-5-7;1-7-3-4-10-9(5-7)6-11-8(2)12-10;1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-7-3-4-10-9(5-7)6-8(2)11-12-10;2*1-7-3-4-9-10(5-7)12-8(2)6-11-9;6*1-2/h6*3-6H,1-2H3;6*1-2H3.
What are the key properties of 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane?
3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane has a molecular weight of 1129.64 g/mol, XLogP of 19.64, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethylcinnoline;3,7-dimethyl-1,6-naphthyridine;2,6-dimethylquinazoline;2,7-dimethylquinazoline;bis(2,7-dimethylquinoxaline);ethane is sourced from PubChem (CID 157148053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).