3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline

C269H313FN28O — CID 160917331

IUPAC3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2ncccc2cc1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2ncccc12.CC(C)(C)c1ncnc2ccccc12.COc1cccc2ccc(C(C)(C)C)cc12.Cc1ccc2ncnc(C(C)(C)C)c2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C15H18O.C14H16.C13H14FN.2C13H16N2.9C13H15N.7C12H14N2/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-12-9(7-11(10)14)5-4-6-15-12;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-5-6-11-10(7-9)12(13(2,3)4)15-8-14-11;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;1-12(2,3)11-9-5-4-7-13-10(9)6-8-14-11;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;9*4-9H,1-3H3;7*4-8H,1-3H3
InChIKeySROOBWAMXZZTKR-UHFFFAOYSA-N
MW3973.66 g/mol
LogP70.71
Rot. Bonds1

About 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline

3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline (PubChem CID 160917331) has the molecular formula C269H313FN28O and a molecular weight of 3973.66 g/mol. Its IUPAC name is 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline.

Molecular Properties

Compound Name3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline
PubChem CID160917331
Molecular FormulaC269H313FN28O
Molecular Weight3973.66 g/mol
Exact Mass3970.53
IUPAC Name3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline
SMILESCC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2ncccc2cc1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2ncccc12.CC(C)(C)c1ncnc2ccccc12.COc1cccc2ccc(C(C)(C)C)cc12.Cc1ccc2ncnc(C(C)(C)C)c2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1
InChIInChI=1S/C15H18O.C14H16.C13H14FN.2C13H16N2.9C13H15N.7C12H14N2/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-12-9(7-11(10)14)5-4-6-15-12;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-5-6-11-10(7-9)12(13(2,3)4)15-8-14-11;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;1-12(2,3)11-9-5-4-7-13-10(9)6-8-14-11;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;9*4-9H,1-3H3;7*4-8H,1-3H3
InChIKeySROOBWAMXZZTKR-UHFFFAOYSA-N
XLogP70.71
TPSA370.15 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds1
Heavy Atoms299
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003973.66
LogP ≤ 570.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline?
The IUPAC name of 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline (CID 160917331) is 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline.
What is the SMILES notation for 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline?
The canonical SMILES for 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline is CC(C)(C)c1cc2ccccc2cn1.CC(C)(C)c1cc2ccccc2nn1.CC(C)(C)c1cc2ncccc2cc1F.CC(C)(C)c1ccc2ccccc2n1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2ccccc12.CC(C)(C)c1cccc2cccnc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1cncc2cccnc12.CC(C)(C)c1nccc2ccccc12.CC(C)(C)c1nccc2ncccc12.CC(C)(C)c1ncnc2ccccc12.COc1cccc2ccc(C(C)(C)C)cc12.Cc1ccc2ncnc(C(C)(C)C)c2c1.Cc1cnc2cc(C(C)(C)C)ccc2n1.
What is the InChIKey of 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline?
The InChIKey is SROOBWAMXZZTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.C14H16.C13H14FN.2C13H16N2.9C13H15N.7C12H14N2/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-13(2,3)10-8-12-9(7-11(10)14)5-4-6-15-12;1-9-8-14-12-7-10(13(2,3)4)5-6-11(12)15-9;1-9-5-6-11-10(7-9)12(13(2,3)4)15-8-14-11;1-13(2,3)11-8-4-6-10-7-5-9-14-12(10)11;1-13(2,3)12-5-4-11-9-14-7-6-10(11)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;2*1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-8-10-6-4-5-7-11(10)9-14-12;1-13(2,3)12-11-7-5-4-6-10(11)8-9-14-12;1-13(2,3)12-9-8-10-6-4-5-7-11(10)14-12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;1-12(2,3)11-9-5-4-7-13-10(9)6-8-14-11;1-12(2,3)10-8-13-7-9-5-4-6-14-11(9)10;1-12(2,3)11-9-6-4-5-7-10(9)13-8-14-11;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)11-8-9-6-4-5-7-10(9)13-14-11/h5-10H,1-4H3;4-10H,1-3H3;4-8H,1-3H3;2*5-8H,1-4H3;9*4-9H,1-3H3;7*4-8H,1-3H3.
What are the key properties of 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline?
3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline has a molecular weight of 3973.66 g/mol, XLogP of 70.71, 1 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylcinnoline;7-tert-butyl-6-fluoroquinoline;1-tert-butylisoquinoline;3-tert-butylisoquinoline;6-tert-butylisoquinoline;7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-6-methylquinazoline;6-tert-butyl-2-methylquinoxaline;1-tert-butylnaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;5-tert-butyl-1,6-naphthyridine;8-tert-butyl-1,6-naphthyridine;4-tert-butylquinazoline;2-tert-butylquinoline;3-tert-butylquinoline;6-tert-butylquinoline;bis(7-tert-butylquinoline);8-tert-butylquinoline;2-tert-butylquinoxaline is sourced from PubChem (CID 160917331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).