3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline

C112H123ClN8 — CID 162041571

IUPAC3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline
SMILESCC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncc(Cl)cc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1
InChIInChI=1S/3C13H15N.C13H14.C12H12ClN.4C12H13N/c3*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3*4-9H,1-3H3;3-10H,1-2H3;3-8H,1-2H3;4*3-9H,1-2H3
InChIKeyYXIQVGBJLJPCLQ-UHFFFAOYSA-N
MW1616.72 g/mol
LogP32.41
Rot. Bonds9

About 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline

3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline (PubChem CID 162041571) has the molecular formula C112H123ClN8 and a molecular weight of 1616.72 g/mol. Its IUPAC name is 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline.

Molecular Properties

Compound Name3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline
PubChem CID162041571
Molecular FormulaC112H123ClN8
Molecular Weight1616.72 g/mol
Exact Mass1614.96
IUPAC Name3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline
SMILESCC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncc(Cl)cc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1
InChIInChI=1S/3C13H15N.C13H14.C12H12ClN.4C12H13N/c3*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3*4-9H,1-3H3;3-10H,1-2H3;3-8H,1-2H3;4*3-9H,1-2H3
InChIKeyYXIQVGBJLJPCLQ-UHFFFAOYSA-N
XLogP32.41
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms121
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001616.72
LogP ≤ 532.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline with MolForge

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Related Compounds

carbanide;cumene;ethane;methane;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene;tris(yttrium)
CID 158874697
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
7-propan-2-yl-2-(2-quinolin-6-ylpropyl)quinoxaline
CID 155582284
1,6-di(propan-2-yl)naphthalene
CID 3016596
(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
beryllium;benzo[h]quinoline;hydride;quinoline
CID 174631089
acridine;benzo[f]quinoline;benzo[g]quinoline;benzo[h]quinoline;phenanthridine;quinoline
CID 161059130
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
7-chloro-5-propan-2-ylquinoline
CID 155708995
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline?
The IUPAC name of 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline (CID 162041571) is 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline.
What is the SMILES notation for 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline?
The canonical SMILES for 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline is CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2cccnc2c1.CC(C)c1ccc2ncc(Cl)cc2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2cccnc12.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1.Cc1cnc2ccc(C(C)C)cc2c1.
What is the InChIKey of 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline?
The InChIKey is YXIQVGBJLJPCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H15N.C13H14.C12H12ClN.4C12H13N/c3*1-9(2)11-4-5-13-12(7-11)6-10(3)8-14-13;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;1-8(2)9-3-4-12-10(5-9)6-11(13)7-14-12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;2*1-9(2)11-6-5-10-4-3-7-13-12(10)8-11/h3*4-9H,1-3H3;3-10H,1-2H3;3-8H,1-2H3;4*3-9H,1-2H3.
What are the key properties of 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline?
3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline has a molecular weight of 1616.72 g/mol, XLogP of 32.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-propan-2-ylquinoline;tris(3-methyl-6-propan-2-ylquinoline);1-propan-2-ylnaphthalene;6-propan-2-ylquinoline;bis(7-propan-2-ylquinoline);8-propan-2-ylquinoline is sourced from PubChem (CID 162041571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).