N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride

C19H21ClN2O — CID 2790115

IUPACN-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-4-22-16-10-8-15(9-11-16)21-18-12-14(3)20-19-13(2)6-5-7-17(18)19;/h5-12H,4H2,1-3H3,(H,20,21);1H
InChIKeyWOHXASLFYHUUHA-UHFFFAOYSA-N
MW328.84 g/mol
LogP5.42
Rot. Bonds4

About N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride

N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride (PubChem CID 2790115) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
PubChem CID2790115
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride
SMILESCCOc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1.Cl
InChIInChI=1S/C19H20N2O.ClH/c1-4-22-16-10-8-15(9-11-16)21-18-12-14(3)20-19-13(2)6-5-7-17(18)19;/h5-12H,4H2,1-3H3,(H,20,21);1H
InChIKeyWOHXASLFYHUUHA-UHFFFAOYSA-N
XLogP5.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.84
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
4-N-[4-(cyclohexylmethoxy)phenyl]-2-methylquinoline-4,8-diamine;hydrate;hydrochloride
CID 67836104
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
6-ethoxy-N-(4-methoxyphenyl)-2-methylquinolin-4-amine
CID 696588
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-(3-chloro-4-methylphenyl)-6-ethoxy-2-methylquinolin-4-amine
CID 948543
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
N-(4-chlorophenyl)-2-methylbenzo[h]quinolin-4-amine;hydrochloride
CID 52997922
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride (CID 2790115) is N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride is CCOc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1.Cl.
What is the InChIKey of N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride?
The InChIKey is WOHXASLFYHUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-4-22-16-10-8-15(9-11-16)21-18-12-14(3)20-19-13(2)6-5-7-17(18)19;/h5-12H,4H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride?
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2790115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).