2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride

C21H24ClN3O — CID 2791902

IUPAC2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-15-4-3-5-19-20(14-16(2)22-21(15)19)23-17-6-8-18(9-7-17)24-10-12-25-13-11-24;/h3-9,14H,10-13H2,1-2H3,(H,22,23);1H
InChIKeyZRRBTYCTSMUFGD-UHFFFAOYSA-N
MW369.90 g/mol
LogP4.85
Rot. Bonds3

About 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride

2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (PubChem CID 2791902) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
PubChem CID2791902
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1.Cl
InChIInChI=1S/C21H23N3O.ClH/c1-15-4-3-5-19-20(14-16(2)22-21(15)19)23-17-6-8-18(9-7-17)24-10-12-25-13-11-24;/h3-9,14H,10-13H2,1-2H3,(H,22,23);1H
InChIKeyZRRBTYCTSMUFGD-UHFFFAOYSA-N
XLogP4.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The IUPAC name of 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride (CID 2791902) is 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride.
What is the SMILES notation for 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The canonical SMILES for 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is Cc1cc(Nc2ccc(N3CCOCC3)cc2)c2cccc(C)c2n1.Cl.
What is the InChIKey of 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
The InChIKey is ZRRBTYCTSMUFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O.ClH/c1-15-4-3-5-19-20(14-16(2)22-21(15)19)23-17-6-8-18(9-7-17)24-10-12-25-13-11-24;/h3-9,14H,10-13H2,1-2H3,(H,22,23);1H.
What are the key properties of 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride?
2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride has a molecular weight of 369.90 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-N-(4-morpholin-4-ylphenyl)quinolin-4-amine;hydrochloride is sourced from PubChem (CID 2791902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).