bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane

C50H66N6 — CID 163451180

IUPACbis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
SMILESCC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1
InChIInChI=1S/2C11H11N.2C10H10N2.4C2H6/c2*1-8-7-9(2)12-11-6-4-3-5-10(8)11;2*1-7-9-5-3-4-6-10(9)12-8(2)11-7;4*1-2/h2*3-7H,1-2H3;2*3-6H,1-2H3;4*1-2H3
InChIKeyBGSXECGNNYSXHY-UHFFFAOYSA-N
MW751.12 g/mol
LogP14.30
Rot. Bonds

About bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane

bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane (PubChem CID 163451180) has the molecular formula C50H66N6 and a molecular weight of 751.12 g/mol. Its IUPAC name is bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane.

Molecular Properties

Compound Namebis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
PubChem CID163451180
Molecular FormulaC50H66N6
Molecular Weight751.12 g/mol
Exact Mass750.53
IUPAC Namebis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
SMILESCC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1
InChIInChI=1S/2C11H11N.2C10H10N2.4C2H6/c2*1-8-7-9(2)12-11-6-4-3-5-10(8)11;2*1-7-9-5-3-4-6-10(9)12-8(2)11-7;4*1-2/h2*3-7H,1-2H3;2*3-6H,1-2H3;4*1-2H3
InChIKeyBGSXECGNNYSXHY-UHFFFAOYSA-N
XLogP14.30
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.12
LogP ≤ 514.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-phenylquinazoline;4-methyl-2-phenylquinazoline;2-methyl-4-phenylquinoline;4-methyl-2-phenylquinoline
CID 159423893
2,9-dimethylcarbazole;3,9-dimethylcarbazole;1,3-dimethylisoquinoline;2,4-dimethylquinoline;ethane
CID 158491264
2-methylquinolin-4-amine
CID 162035180
1,3,5-trimethylbenzo[c][2,6]naphthyridine
CID 118895235
1,3-dimethylisoquinoline;2,4-dimethylquinazoline;2,4-dimethylquinoline;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;bis(2,4,6-trimethylpyridine);bis(2,4,6-trimethylpyrimidine);2,4,5-trimethylquinazoline;2,4,6-trimethylquinazoline;2,4,7-trimethylquinazoline;2,4,8-trimethylquinazoline;2,4,6-trimethylquinoline;2,4,6-trimethyl-1,3,5-triazine
CID 161119338
2,4-dimethyl-N-phenylquinazolin-7-amine
CID 175557011
2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
4-methyl-6-(4-methylquinolin-2-yl)-1,3,5-triazin-2-amine
CID 114755546
4-methylquinoline-2-carbaldehyde
CID 12735795
(2-methylquinolin-4-yl)methanethiol
CID 79885955
4-methylquinazoline-2-carboxylic acid
CID 84770673

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane?
The IUPAC name of bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane (CID 163451180) is bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane.
What is the SMILES notation for bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane?
The canonical SMILES for bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane is CC.CC.CC.CC.Cc1cc(C)c2ccccc2n1.Cc1cc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1.Cc1nc(C)c2ccccc2n1.
What is the InChIKey of bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane?
The InChIKey is BGSXECGNNYSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11N.2C10H10N2.4C2H6/c2*1-8-7-9(2)12-11-6-4-3-5-10(8)11;2*1-7-9-5-3-4-6-10(9)12-8(2)11-7;4*1-2/h2*3-7H,1-2H3;2*3-6H,1-2H3;4*1-2H3.
What are the key properties of bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane?
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane has a molecular weight of 751.12 g/mol, XLogP of 14.30, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane is sourced from PubChem (CID 163451180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).