5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine

C13H14Cl2N2 — CID 62913846

IUPAC5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2cc(Cl)cc(Cl)c2c(N)c1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-6(2)11-7(3)17-10-5-8(14)4-9(15)12(10)13(11)16/h4-6H,1-3H3,(H2,16,17)
InChIKeyRKMZLZGGFJQOME-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.56
Rot. Bonds1

About 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine

5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine (PubChem CID 62913846) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
PubChem CID62913846
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine
SMILESCc1nc2cc(Cl)cc(Cl)c2c(N)c1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-6(2)11-7(3)17-10-5-8(14)4-9(15)12(10)13(11)16/h4-6H,1-3H3,(H2,16,17)
InChIKeyRKMZLZGGFJQOME-UHFFFAOYSA-N
XLogP4.56
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine?
The IUPAC name of 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine (CID 62913846) is 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine is Cc1nc2cc(Cl)cc(Cl)c2c(N)c1C(C)C.
What is the InChIKey of 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine?
The InChIKey is RKMZLZGGFJQOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-6(2)11-7(3)17-10-5-8(14)4-9(15)12(10)13(11)16/h4-6H,1-3H3,(H2,16,17).
What are the key properties of 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine?
5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine has a molecular weight of 269.18 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-3-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 62913846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).