6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline

C50H59N7 — CID 157191671

IUPAC6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cnc2cccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C13H16N2.C13H15N.2C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3
InChIKeyAPTPCFVVZWLNRC-UHFFFAOYSA-N
MW758.07 g/mol
LogP12.62
Rot. Bonds

About 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline

6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline (PubChem CID 157191671) has the molecular formula C50H59N7 and a molecular weight of 758.07 g/mol. Its IUPAC name is 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline.

Molecular Properties

Compound Name6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
PubChem CID157191671
Molecular FormulaC50H59N7
Molecular Weight758.07 g/mol
Exact Mass757.48
IUPAC Name6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline
SMILESCC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cnc2cccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C13H16N2.C13H15N.2C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3
InChIKeyAPTPCFVVZWLNRC-UHFFFAOYSA-N
XLogP12.62
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.07
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline with MolForge

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Related Compounds

6-tert-butyl-2-methylquinoxaline;6-tert-butylquinoline;6-tert-butylquinoxaline
CID 158095111
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
bis(2-methylquinoxaline);hydrate
CID 118096878
ethane;2-methylquinoxaline
CID 90767427
3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butylisoquinoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline
CID 163657036
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
CID 131975391
5-tert-butyl-2-methylquinoline;2-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,5-naphthyridine;3-tert-butyl-1,8-naphthyridine;4-tert-butyl-1,5-naphthyridine;4-tert-butyl-1,8-naphthyridine;5-tert-butyl-1,6-naphthyridine;3-tert-butylquinoline;5-tert-butylquinoline;8-tert-butylquinoline
CID 167585846
6-methylquinoline
CID 7059
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
CID 81198431
(4-tert-butylphenyl)-quinolin-6-ylmethanamine
CID 82106268

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline?
The IUPAC name of 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline (CID 157191671) is 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline.
What is the SMILES notation for 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline?
The canonical SMILES for 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline is CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1cnc2cccnc2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1.
What is the InChIKey of 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline?
The InChIKey is APTPCFVVZWLNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15N.2C12H14N2/c1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)9-7-11-10(14-8-9)5-4-6-13-11/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3.
What are the key properties of 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline?
6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline has a molecular weight of 758.07 g/mol, XLogP of 12.62, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylquinoxaline;3-tert-butyl-1,5-naphthyridine;6-tert-butylquinoline;6-tert-butylquinoxaline is sourced from PubChem (CID 157191671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).