6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one

C158H185Cl2N13O2 — CID 159196327

IUPAC6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one
SMILESCC(C)(C)c1c[nH]c2ncccc12.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)c1ccc2ccccc2c1.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.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.2C13H15NO.4C13H15N.C12H14N2.C11H14N2/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-13(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;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyKOSASVLVWROAKF-UHFFFAOYSA-N
MW2369.21 g/mol
LogP42.81
Rot. Bonds2

About 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one

6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one (PubChem CID 159196327) has the molecular formula C158H185Cl2N13O2 and a molecular weight of 2369.21 g/mol. Its IUPAC name is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one
PubChem CID159196327
Molecular FormulaC158H185Cl2N13O2
Molecular Weight2369.21 g/mol
Exact Mass2366.42
IUPAC Name6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one
SMILESCC(C)(C)c1c[nH]c2ncccc12.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)c1ccc2ccccc2c1.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.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1
InChIInChI=1S/C17H23N.C14H16.2C13H14ClN.2C13H15NO.4C13H15N.C12H14N2.C11H14N2/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-13(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;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyKOSASVLVWROAKF-UHFFFAOYSA-N
XLogP42.81
TPSA210.41 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002369.21
LogP ≤ 542.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one 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;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one?
The IUPAC name of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one (CID 159196327) is 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one.
What is the SMILES notation for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one?
The canonical SMILES for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one is CC(C)(C)c1c[nH]c2ncccc12.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)c1ccc2ccccc2c1.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.CC(C)Cc1cc(C(C)(C)C)c2ccccc2n1.
What is the InChIKey of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one?
The InChIKey is KOSASVLVWROAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N.C14H16.2C13H14ClN.2C13H15NO.4C13H15N.C12H14N2.C11H14N2/c1-12(2)10-13-11-15(17(3,4)5)14-8-6-7-9-16(14)18-13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;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;1-13(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;1-12(2,3)10-7-6-9-5-4-8-13-11(9)14-10;1-11(2,3)9-7-13-10-8(9)5-4-6-12-10/h6-9,11-12H,10H2,1-5H3;4-10H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3,(H,14,15);4*4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one?
6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one has a molecular weight of 2369.21 g/mol, XLogP of 42.81, 2 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-chloroquinoline;7-tert-butyl-4-chloroquinoline;6-tert-butylisoquinoline;4-tert-butyl-2-(2-methylpropyl)quinoline;2-tert-butylnaphthalene;2-tert-butyl-1,8-naphthyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butyl-1H-quinolin-4-one;7-tert-butyl-1H-quinolin-4-one is sourced from PubChem (CID 159196327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).