7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine

C13H14Cl2N2 — CID 63524898

IUPAC7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyCZNRCKYZMJRCCT-UHFFFAOYSA-N
MW269.18 g/mol
LogP4.71
Rot. Bonds2

About 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine

7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine (PubChem CID 63524898) has the molecular formula C13H14Cl2N2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine.

Molecular Properties

Compound Name7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
PubChem CID63524898
Molecular FormulaC13H14Cl2N2
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
SMILESCNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C
InChIInChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17)
InChIKeyCZNRCKYZMJRCCT-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The IUPAC name of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine (CID 63524898) is 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine.
What is the SMILES notation for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The canonical SMILES for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine is CNc1nc2c(Cl)c(Cl)ccc2cc1C(C)C.
What is the InChIKey of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
The InChIKey is CZNRCKYZMJRCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2/c1-7(2)9-6-8-4-5-10(14)11(15)12(8)17-13(9)16-3/h4-7H,1-3H3,(H,16,17).
What are the key properties of 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine?
7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine has a molecular weight of 269.18 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine is sourced from PubChem (CID 63524898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).