3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine

C14H16Cl2N2 — CID 82576903

IUPAC3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
SMILESCc1cc(CC(C)CN)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H16Cl2N2/c1-8(7-17)3-10-4-9(2)18-13-6-11(15)5-12(16)14(10)13/h4-6,8H,3,7,17H2,1-2H3
InChIKeyKNCNVCYRFKCESA-UHFFFAOYSA-N
MW283.20 g/mol
LogP3.99
Rot. Bonds3

About 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine

3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine (PubChem CID 82576903) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
PubChem CID82576903
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine
SMILESCc1cc(CC(C)CN)c2c(Cl)cc(Cl)cc2n1
InChIInChI=1S/C14H16Cl2N2/c1-8(7-17)3-10-4-9(2)18-13-6-11(15)5-12(16)14(10)13/h4-6,8H,3,7,17H2,1-2H3
InChIKeyKNCNVCYRFKCESA-UHFFFAOYSA-N
XLogP3.99
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine (CID 82576903) is 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine is Cc1cc(CC(C)CN)c2c(Cl)cc(Cl)cc2n1.
What is the InChIKey of 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine?
The InChIKey is KNCNVCYRFKCESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c1-8(7-17)3-10-4-9(2)18-13-6-11(15)5-12(16)14(10)13/h4-6,8H,3,7,17H2,1-2H3.
What are the key properties of 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine?
3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine has a molecular weight of 283.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloro-2-methylquinolin-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 82576903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).