2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane

C27H36N4 — CID 158420994

IUPAC2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane
SMILESC.Cc1ccnc2ccc(C(C)(C)C)nc12.Cc1ncnc2ccc(C(C)(C)C)cc12
InChIInChI=1S/2C13H16N2.CH4/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-7-8-14-10-5-6-11(13(2,3)4)15-12(9)10;/h2*5-8H,1-4H3;1H4
InChIKeyHAMIOXIOYNPCPK-UHFFFAOYSA-N
MW416.61 g/mol
LogP7.11
Rot. Bonds

About 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane

2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane (PubChem CID 158420994) has the molecular formula C27H36N4 and a molecular weight of 416.61 g/mol. Its IUPAC name is 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane.

Molecular Properties

Compound Name2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane
PubChem CID158420994
Molecular FormulaC27H36N4
Molecular Weight416.61 g/mol
Exact Mass416.29
IUPAC Name2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane
SMILESC.Cc1ccnc2ccc(C(C)(C)C)nc12.Cc1ncnc2ccc(C(C)(C)C)cc12
InChIInChI=1S/2C13H16N2.CH4/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-7-8-14-10-5-6-11(13(2,3)4)15-12(9)10;/h2*5-8H,1-4H3;1H4
InChIKeyHAMIOXIOYNPCPK-UHFFFAOYSA-N
XLogP7.11
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane?
The IUPAC name of 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane (CID 158420994) is 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane.
What is the SMILES notation for 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane?
The canonical SMILES for 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane is C.Cc1ccnc2ccc(C(C)(C)C)nc12.Cc1ncnc2ccc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane?
The InChIKey is HAMIOXIOYNPCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16N2.CH4/c1-9-11-7-10(13(2,3)4)5-6-12(11)15-8-14-9;1-9-7-8-14-10-5-6-11(13(2,3)4)15-12(9)10;/h2*5-8H,1-4H3;1H4.
What are the key properties of 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane?
2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane has a molecular weight of 416.61 g/mol, XLogP of 7.11, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-methyl-1,5-naphthyridine;6-tert-butyl-4-methylquinazoline;methane is sourced from PubChem (CID 158420994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).