6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

C178H224Cl2F6N10O6 — CID 157412822

IUPAC6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CC(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H26O2.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H16/c1-13(2,3)9-10-7-11(8-10)12(15)16-14(4,5)6;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;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;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;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-10-7-5-4-6-8-10/h10-11H,7-9H2,1-6H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-8H,9H2,1-3H3/t;;;;;;;;;;;;10-;/m............0./s1
InChIKeyBOMGOHNUTWYHBG-PIJWGWMXSA-N
MW2784.71 g/mol
LogP49.68
Rot. Bonds8

About 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (PubChem CID 157412822) has the molecular formula C178H224Cl2F6N10O6 and a molecular weight of 2784.71 g/mol. Its IUPAC name is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
PubChem CID157412822
Molecular FormulaC178H224Cl2F6N10O6
Molecular Weight2784.71 g/mol
Exact Mass2781.68
IUPAC Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene
SMILESCC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CC(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.C[C@@H](c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H26O2.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H16/c1-13(2,3)9-10-7-11(8-10)12(15)16-14(4,5)6;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;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;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;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-10-7-5-4-6-8-10/h10-11H,7-9H2,1-6H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-8H,9H2,1-3H3/t;;;;;;;;;;;;10-;/m............0./s1
InChIKeyBOMGOHNUTWYHBG-PIJWGWMXSA-N
XLogP49.68
TPSA224.60 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms202
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.71
LogP ≤ 549.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene (CID 157412822) is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is CC(C)(C)C(CO)(c1ccccc1)C(F)(F)F.CC(C)(C)CC1CC(C(=O)OC(C)(C)C)C1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1ccccc1OC(F)(F)F.CC(C)(C)c1ccc2[nH]ccc(=O)c2c1.CC(C)(C)c1ccc2c(=O)cc[nH]c2c1.CC(C)(C)c1ccc2c(Cl)ccnc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cccnc2n1.CC(C)(C)c1ccc2cnccc2c1.CC(C)(C)c1ccc2nccc(Cl)c2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cnc2ccccc2c1.C[C@@H](c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
The InChIKey is BOMGOHNUTWYHBG-PIJWGWMXSA-N. The full InChI is InChI=1S/C14H26O2.2C13H14ClN.C13H17F3O.2C13H15NO.4C13H15N.C12H15F3O.C12H14N2.C12H18.C11H16/c1-13(2,3)9-10-7-11(8-10)12(15)16-14(4,5)6;1-13(2,3)9-4-5-12-10(8-9)11(14)6-7-15-12;1-13(2,3)9-4-5-10-11(14)6-7-15-12(10)8-9;1-11(2,3)12(9-17,13(14,15)16)10-7-5-4-6-8-10;1-13(2,3)9-4-5-11-10(8-9)12(15)6-7-14-11;1-13(2,3)9-4-5-10-11(8-9)14-7-6-12(10)15;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;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;1-11(2,3)8-9-6-4-5-7-10(9)16-12(13,14)15;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-10(12(2,3)4)11-8-6-5-7-9-11;1-11(2,3)9-10-7-5-4-6-8-10/h10-11H,7-9H2,1-6H3;2*4-8H,1-3H3;4-8,17H,9H2,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-7H,8H2,1-3H3;4-8H,1-3H3;5-10H,1-4H3;4-8H,9H2,1-3H3/t;;;;;;;;;;;;10-;/m............0./s1.
What are the key properties of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene?
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene has a molecular weight of 2784.71 g/mol, XLogP of 49.68, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;tert-butyl 3-(2,2-dimethylpropyl)cyclobutane-1-carboxylate;6-tert-butylisoquinoline;2-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one;[(2R)-3,3-dimethylbutan-2-yl]benzene;3,3-dimethyl-2-phenyl-2-(trifluoromethyl)butan-1-ol;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 157412822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).