6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline

C55H72N2O — CID 167549353

IUPAC6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline
SMILESCc1cc(C)c2nc(C)cc(C(C)C)c2c1.Cc1ccc2c(c1)C(C(C)C)CCC2.Cc1ccc2c(c1)C(C(C)C)CCO2.Cc1cnc2cccc(C(C)C)c2c1
InChIInChI=1S/C15H19N.C14H20.C13H15N.C13H18O/c1-9(2)13-8-12(5)16-15-11(4)6-10(3)7-14(13)15;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13/h6-9H,1-5H3;7-10,13H,4-6H2,1-3H3;4-9H,1-3H3;4-5,8-9,11H,6-7H2,1-3H3
InChIKeyCFAAYYMUVHQCSS-UHFFFAOYSA-N
MW777.19 g/mol
LogP15.54
Rot. Bonds4

About 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline

6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline (PubChem CID 167549353) has the molecular formula C55H72N2O and a molecular weight of 777.19 g/mol. Its IUPAC name is 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline.

Molecular Properties

Compound Name6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline
PubChem CID167549353
Molecular FormulaC55H72N2O
Molecular Weight777.19 g/mol
Exact Mass776.56
IUPAC Name6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline
SMILESCc1cc(C)c2nc(C)cc(C(C)C)c2c1.Cc1ccc2c(c1)C(C(C)C)CCC2.Cc1ccc2c(c1)C(C(C)C)CCO2.Cc1cnc2cccc(C(C)C)c2c1
InChIInChI=1S/C15H19N.C14H20.C13H15N.C13H18O/c1-9(2)13-8-12(5)16-15-11(4)6-10(3)7-14(13)15;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13/h6-9H,1-5H3;7-10,13H,4-6H2,1-3H3;4-9H,1-3H3;4-5,8-9,11H,6-7H2,1-3H3
InChIKeyCFAAYYMUVHQCSS-UHFFFAOYSA-N
XLogP15.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.19
LogP ≤ 515.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline?
The IUPAC name of 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline (CID 167549353) is 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline.
What is the SMILES notation for 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline?
The canonical SMILES for 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline is Cc1cc(C)c2nc(C)cc(C(C)C)c2c1.Cc1ccc2c(c1)C(C(C)C)CCC2.Cc1ccc2c(c1)C(C(C)C)CCO2.Cc1cnc2cccc(C(C)C)c2c1.
What is the InChIKey of 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline?
The InChIKey is CFAAYYMUVHQCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.C14H20.C13H15N.C13H18O/c1-9(2)13-8-12(5)16-15-11(4)6-10(3)7-14(13)15;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-9(2)11-5-4-6-13-12(11)7-10(3)8-14-13;1-9(2)11-6-7-14-13-5-4-10(3)8-12(11)13/h6-9H,1-5H3;7-10,13H,4-6H2,1-3H3;4-9H,1-3H3;4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline?
6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline has a molecular weight of 777.19 g/mol, XLogP of 15.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene;3-methyl-5-propan-2-ylquinoline;7-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene;2,6,8-trimethyl-4-propan-2-ylquinoline is sourced from PubChem (CID 167549353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).