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

C26H33Cl3N4O — CID 45043324

IUPAC4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12.Cl
InChIInChI=1S/C26H32Cl2N4O.ClH/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);1H/b14-10+;
InChIKeyQOVFFPJDVUREMB-KMZJGFRYSA-N
MW523.94 g/mol
LogP7.46
Rot. Bonds11

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

4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride (PubChem CID 45043324) has the molecular formula C26H33Cl3N4O and a molecular weight of 523.94 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;hydrochloride.

Molecular Properties

Compound Name4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
PubChem CID45043324
Molecular FormulaC26H33Cl3N4O
Molecular Weight523.94 g/mol
Exact Mass522.17
IUPAC Name4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12.Cl
InChIInChI=1S/C26H32Cl2N4O.ClH/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);1H/b14-10+;
InChIKeyQOVFFPJDVUREMB-KMZJGFRYSA-N
XLogP7.46
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.94
LogP ≤ 57.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride with MolForge

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Related Compounds

(+-)-Quinacrine
CID 237
Quinacrine Dihydrochloride
CID 6239
Verubulin
CID 11414799
5-((1-(2,6-Dichlorobenzyl)piperidin-4-yl)methoxy)quinazoline-2,4-diamine
CID 53258905
Quinacrine dihydrochloride dihydrate
CID 2725002
(R)-quinacrine
CID 446536
CP-31398
CID 9950868
5-chloro-N~6~-(2,5-dimethoxybenzyl)quinazoline-2,4,6-triamine
CID 461920
4-((6-Chloro-2-methoxyacridin-9(10H)-ylidene)amino)-N,N-diethylpentan-1-amine--hydrogen chloride (1/1)
CID 5351141
(4-Aminobutyl)(3-aminopropyl){3-[(6-chloro-2-methyloxyacridin-9-yl)amino]propyl}amine
CID 470828
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186

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;hydrochloride?
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;hydrochloride (CID 45043324) is 4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride.
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;hydrochloride?
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;hydrochloride is CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(Cl)cc2Cl)nc2ccc(OC)cc12.Cl.
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;hydrochloride?
The InChIKey is QOVFFPJDVUREMB-KMZJGFRYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O.ClH/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);1H/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;hydrochloride?
4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride has a molecular weight of 523.94 g/mol, XLogP of 7.46, 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;hydrochloride is sourced from PubChem (CID 45043324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).