10-butyl-1,8-dichloro-9-methylideneacridine

C18H17Cl2N — CID 102189407

IUPAC10-butyl-1,8-dichloro-9-methylideneacridine
SMILESC=C1c2c(Cl)cccc2N(CCCC)c2cccc(Cl)c21
InChIInChI=1S/C18H17Cl2N/c1-3-4-11-21-15-9-5-7-13(19)17(15)12(2)18-14(20)8-6-10-16(18)21/h5-10H,2-4,11H2,1H3
InChIKeyANWUFEKTVQIEHP-UHFFFAOYSA-N
MW318.25 g/mol
LogP6.31
Rot. Bonds3

About 10-butyl-1,8-dichloro-9-methylideneacridine

10-butyl-1,8-dichloro-9-methylideneacridine (PubChem CID 102189407) has the molecular formula C18H17Cl2N and a molecular weight of 318.25 g/mol. Its IUPAC name is 10-butyl-1,8-dichloro-9-methylideneacridine.

Molecular Properties

Compound Name10-butyl-1,8-dichloro-9-methylideneacridine
PubChem CID102189407
Molecular FormulaC18H17Cl2N
Molecular Weight318.25 g/mol
Exact Mass317.07
IUPAC Name10-butyl-1,8-dichloro-9-methylideneacridine
SMILESC=C1c2c(Cl)cccc2N(CCCC)c2cccc(Cl)c21
InChIInChI=1S/C18H17Cl2N/c1-3-4-11-21-15-9-5-7-13(19)17(15)12(2)18-14(20)8-6-10-16(18)21/h5-10H,2-4,11H2,1H3
InChIKeyANWUFEKTVQIEHP-UHFFFAOYSA-N
XLogP6.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.25
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-butyl-1,8-dichloro-9-methylideneacridine?
The IUPAC name of 10-butyl-1,8-dichloro-9-methylideneacridine (CID 102189407) is 10-butyl-1,8-dichloro-9-methylideneacridine.
What is the SMILES notation for 10-butyl-1,8-dichloro-9-methylideneacridine?
The canonical SMILES for 10-butyl-1,8-dichloro-9-methylideneacridine is C=C1c2c(Cl)cccc2N(CCCC)c2cccc(Cl)c21.
What is the InChIKey of 10-butyl-1,8-dichloro-9-methylideneacridine?
The InChIKey is ANWUFEKTVQIEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N/c1-3-4-11-21-15-9-5-7-13(19)17(15)12(2)18-14(20)8-6-10-16(18)21/h5-10H,2-4,11H2,1H3.
What are the key properties of 10-butyl-1,8-dichloro-9-methylideneacridine?
10-butyl-1,8-dichloro-9-methylideneacridine has a molecular weight of 318.25 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-1,8-dichloro-9-methylideneacridine is sourced from PubChem (CID 102189407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).