N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine

C21H21Cl2N3O — CID 25217464

IUPACN-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
SMILESCc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C21H21Cl2N3O/c1-14-11-19(24-13-15-5-6-17(22)18(23)12-15)16-3-2-4-20(21(16)25-14)26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,24,25)
InChIKeyUNDADCCPSOFMQT-UHFFFAOYSA-N
MW402.33 g/mol
LogP5.30
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine

N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine (PubChem CID 25217464) has the molecular formula C21H21Cl2N3O and a molecular weight of 402.33 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
PubChem CID25217464
Molecular FormulaC21H21Cl2N3O
Molecular Weight402.33 g/mol
Exact Mass401.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine
SMILESCc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(N3CCOCC3)c2n1
InChIInChI=1S/C21H21Cl2N3O/c1-14-11-19(24-13-15-5-6-17(22)18(23)12-15)16-3-2-4-20(21(16)25-14)26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,24,25)
InChIKeyUNDADCCPSOFMQT-UHFFFAOYSA-N
XLogP5.30
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.33
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine (CID 25217464) is N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine is Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(N3CCOCC3)c2n1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine?
The InChIKey is UNDADCCPSOFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N3O/c1-14-11-19(24-13-15-5-6-17(22)18(23)12-15)16-3-2-4-20(21(16)25-14)26-7-9-27-10-8-26/h2-6,11-12H,7-10,13H2,1H3,(H,24,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine has a molecular weight of 402.33 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-methyl-8-morpholin-4-ylquinolin-4-amine is sourced from PubChem (CID 25217464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).