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

C25H31ClN4 — CID 14668185

IUPAC4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H31ClN4/c1-4-30(5-2)17-9-10-19(3)27-25-22-18-21(26)14-15-23(22)28-24(29-25)16-13-20-11-7-6-8-12-20/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,27,28,29)/b16-13+
InChIKeyZHKLGRXKJVJBBA-DTQAZKPQSA-N
MW423.00 g/mol
LogP6.38
Rot. Bonds10

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

4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 14668185) has the molecular formula C25H31ClN4 and a molecular weight of 423.00 g/mol. Its IUPAC name is 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID14668185
Molecular FormulaC25H31ClN4
Molecular Weight423.00 g/mol
Exact Mass422.22
IUPAC Name4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(/C=C/c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C25H31ClN4/c1-4-30(5-2)17-9-10-19(3)27-25-22-18-21(26)14-15-23(22)28-24(29-25)16-13-20-11-7-6-8-12-20/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,27,28,29)/b16-13+
InChIKeyZHKLGRXKJVJBBA-DTQAZKPQSA-N
XLogP6.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.00
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride
CID 45043324
4-N-[2-[2-(2-chloro-4,5-dimethoxyphenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 73181298
[(4R)-4-[[7-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]amino]pentyl]-diethylazanium
CID 7090722
1-N,1-N-diethyl-4-N-[6-nitro-2-[(E)-2-(2,4,6-trichlorophenyl)ethenyl]quinazolin-4-yl]pentane-1,4-diamine;hydrochloride
CID 45043341
(4S)-4-N-[2-[(E)-2-(4-bromophenyl)ethenyl]-5-chloroquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 42583237
4-N-[2-[2-(4-bromophenyl)ethenyl]-5-chloroquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 73385504
N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453076
(4S)-4-N-[2-[(E)-2-(2,4-dibromophenyl)ethenyl]-6-methoxyquinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 97292430
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-methylquinolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 89398881
4-N-[8-chloro-2-[(E)-2-(3,4-dibromophenyl)ethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 17386273
1-N,1-N-diethyl-4-N-[6-nitro-2-[(E)-2-(2,4,6-tribromophenyl)ethenyl]quinazolin-4-yl]pentane-1,4-diamine;hydrochloride
CID 45043343

Frequently Asked Questions

What is the IUPAC name of 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 14668185) is 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is ZHKLGRXKJVJBBA-DTQAZKPQSA-N. The full InChI is InChI=1S/C25H31ClN4/c1-4-30(5-2)17-9-10-19(3)27-25-22-18-21(26)14-15-23(22)28-24(29-25)16-13-20-11-7-6-8-12-20/h6-8,11-16,18-19H,4-5,9-10,17H2,1-3H3,(H,27,28,29)/b16-13+.
What are the key properties of 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 423.00 g/mol, XLogP of 6.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 14668185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).