1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C19H19N — CID 68538685

IUPAC1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESc1ccc2c(c1)CC1NCCc3ccc(C4CC4)c-2c31
InChIInChI=1S/C19H19N/c1-2-4-15-14(3-1)11-17-18-13(9-10-20-17)7-8-16(19(15)18)12-5-6-12/h1-4,7-8,12,17,20H,5-6,9-11H2
InChIKeyLVLMEEXZRWPWEN-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.97
Rot. Bonds1

About 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 68538685) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID68538685
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESc1ccc2c(c1)CC1NCCc3ccc(C4CC4)c-2c31
InChIInChI=1S/C19H19N/c1-2-4-15-14(3-1)11-17-18-13(9-10-20-17)7-8-16(19(15)18)12-5-6-12/h1-4,7-8,12,17,20H,5-6,9-11H2
InChIKeyLVLMEEXZRWPWEN-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 68538685) is 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is c1ccc2c(c1)CC1NCCc3ccc(C4CC4)c-2c31.
What is the InChIKey of 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is LVLMEEXZRWPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-2-4-15-14(3-1)11-17-18-13(9-10-20-17)7-8-16(19(15)18)12-5-6-12/h1-4,7-8,12,17,20H,5-6,9-11H2.
What are the key properties of 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 261.37 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 68538685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).