4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

C25H28Cl4N4 — CID 6066923

IUPAC4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C25H28Cl4N4/c1-4-33(5-2)12-6-7-16(3)30-25-20-9-8-17(26)15-23(20)31-24(32-25)11-10-19-21(28)13-18(27)14-22(19)29/h8-11,13-16H,4-7,12H2,1-3H3,(H,30,31,32)/b11-10+
InChIKeyZDUYNZXUTJDJHX-ZHACJKMWSA-N
MW526.34 g/mol
LogP8.34
Rot. Bonds10

About 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 6066923) has the molecular formula C25H28Cl4N4 and a molecular weight of 526.34 g/mol. Its IUPAC name is 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID6066923
Molecular FormulaC25H28Cl4N4
Molecular Weight526.34 g/mol
Exact Mass524.11
IUPAC Name4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C25H28Cl4N4/c1-4-33(5-2)12-6-7-16(3)30-25-20-9-8-17(26)15-23(20)31-24(32-25)11-10-19-21(28)13-18(27)14-22(19)29/h8-11,13-16H,4-7,12H2,1-3H3,(H,30,31,32)/b11-10+
InChIKeyZDUYNZXUTJDJHX-ZHACJKMWSA-N
XLogP8.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.34
LogP ≤ 58.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 6066923) is 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(/C=C/c2c(Cl)cc(Cl)cc2Cl)nc2cc(Cl)ccc12.
What is the InChIKey of 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is ZDUYNZXUTJDJHX-ZHACJKMWSA-N. The full InChI is InChI=1S/C25H28Cl4N4/c1-4-33(5-2)12-6-7-16(3)30-25-20-9-8-17(26)15-23(20)31-24(32-25)11-10-19-21(28)13-18(27)14-22(19)29/h8-11,13-16H,4-7,12H2,1-3H3,(H,30,31,32)/b11-10+.
What are the key properties of 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 526.34 g/mol, XLogP of 8.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[7-chloro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 6066923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).