4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

C26H32Cl2N4O — CID 6047191

IUPAC4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12
InChIInChI=1S/C26H32Cl2N4O/c1-5-32(6-2)15-7-8-18(3)29-26-22-17-21(33-4)12-13-24(22)30-25(31-26)14-10-19-9-11-20(27)16-23(19)28/h9-14,16-18H,5-8,15H2,1-4H3,(H,29,30,31)/b14-10+
InChIKeyOFUVJTUTXSSQIJ-GXDHUFHOSA-N
MW487.48 g/mol
LogP7.04
Rot. Bonds11

About 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 6047191) has the molecular formula C26H32Cl2N4O and a molecular weight of 487.48 g/mol. Its IUPAC name is 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID6047191
Molecular FormulaC26H32Cl2N4O
Molecular Weight487.48 g/mol
Exact Mass486.20
IUPAC Name4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12
InChIInChI=1S/C26H32Cl2N4O/c1-5-32(6-2)15-7-8-18(3)29-26-22-17-21(33-4)12-13-24(22)30-25(31-26)14-10-19-9-11-20(27)16-23(19)28/h9-14,16-18H,5-8,15H2,1-4H3,(H,29,30,31)/b14-10+
InChIKeyOFUVJTUTXSSQIJ-GXDHUFHOSA-N
XLogP7.04
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 6047191) is 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12.
What is the InChIKey of 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is OFUVJTUTXSSQIJ-GXDHUFHOSA-N. The full InChI is InChI=1S/C26H32Cl2N4O/c1-5-32(6-2)15-7-8-18(3)29-26-22-17-21(33-4)12-13-24(22)30-25(31-26)14-10-19-9-11-20(27)16-23(19)28/h9-14,16-18H,5-8,15H2,1-4H3,(H,29,30,31)/b14-10+.
What are the key properties of 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 487.48 g/mol, XLogP of 7.04, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 6047191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).