1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine

C15H15Cl2N3 — CID 106994912

IUPAC1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C15H15Cl2N3/c16-14-6-5-11(15(17)19-14)8-20-9-12(18)7-10-3-1-2-4-13(10)20/h1-6,12H,7-9,18H2
InChIKeyKLOYYXYICWQFKN-UHFFFAOYSA-N
MW308.21 g/mol
LogP3.28
Rot. Bonds2

About 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine

1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 106994912) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
PubChem CID106994912
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2ccc(Cl)nc2Cl)C1
InChIInChI=1S/C15H15Cl2N3/c16-14-6-5-11(15(17)19-14)8-20-9-12(18)7-10-3-1-2-4-13(10)20/h1-6,12H,7-9,18H2
InChIKeyKLOYYXYICWQFKN-UHFFFAOYSA-N
XLogP3.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine (CID 106994912) is 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine is NC1Cc2ccccc2N(Cc2ccc(Cl)nc2Cl)C1.
What is the InChIKey of 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is KLOYYXYICWQFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-14-6-5-11(15(17)19-14)8-20-9-12(18)7-10-3-1-2-4-13(10)20/h1-6,12H,7-9,18H2.
What are the key properties of 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 308.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichloro-3-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 106994912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).