5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride

C17H17ClN2 — CID 43866018

IUPAC5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride
SMILESCc1ccc(C)c2nc(N)c(-c3ccccc3)cc12.Cl
InChIInChI=1S/C17H16N2.ClH/c1-11-8-9-12(2)16-14(11)10-15(17(18)19-16)13-6-4-3-5-7-13;/h3-10H,1-2H3,(H2,18,19);1H
InChIKeyKFNWOCOGCCCMPX-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.52
Rot. Bonds1

About 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride

5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride (PubChem CID 43866018) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride.

Molecular Properties

Compound Name5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride
PubChem CID43866018
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride
SMILESCc1ccc(C)c2nc(N)c(-c3ccccc3)cc12.Cl
InChIInChI=1S/C17H16N2.ClH/c1-11-8-9-12(2)16-14(11)10-15(17(18)19-16)13-6-4-3-5-7-13;/h3-10H,1-2H3,(H2,18,19);1H
InChIKeyKFNWOCOGCCCMPX-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride?
The IUPAC name of 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride (CID 43866018) is 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride.
What is the SMILES notation for 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride?
The canonical SMILES for 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride is Cc1ccc(C)c2nc(N)c(-c3ccccc3)cc12.Cl.
What is the InChIKey of 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride?
The InChIKey is KFNWOCOGCCCMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2.ClH/c1-11-8-9-12(2)16-14(11)10-15(17(18)19-16)13-6-4-3-5-7-13;/h3-10H,1-2H3,(H2,18,19);1H.
What are the key properties of 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride?
5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-3-phenylquinolin-2-amine;hydrochloride is sourced from PubChem (CID 43866018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).