4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

C29H32Cl2N4 — CID 68861292

IUPAC4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C29H32Cl2N4/c1-4-35(5-2)18-6-7-20(3)32-29-26-17-16-25(31)19-27(26)33-28(34-29)23-10-8-21(9-11-23)22-12-14-24(30)15-13-22/h8-17,19-20H,4-7,18H2,1-3H3,(H,32,33,34)
InChIKeyZAXITKHZKJMEBM-UHFFFAOYSA-N
MW507.51 g/mol
LogP8.19
Rot. Bonds10

About 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 68861292) has the molecular formula C29H32Cl2N4 and a molecular weight of 507.51 g/mol. Its IUPAC name is 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID68861292
Molecular FormulaC29H32Cl2N4
Molecular Weight507.51 g/mol
Exact Mass506.20
IUPAC Name4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc12
InChIInChI=1S/C29H32Cl2N4/c1-4-35(5-2)18-6-7-20(3)32-29-26-17-16-25(31)19-27(26)33-28(34-29)23-10-8-21(9-11-23)22-12-14-24(30)15-13-22/h8-17,19-20H,4-7,18H2,1-3H3,(H,32,33,34)
InChIKeyZAXITKHZKJMEBM-UHFFFAOYSA-N
XLogP8.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine with MolForge

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Related Compounds

4-N-(7-chloro-3-fluoroquinolin-2-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 127027357
4-N-(3-chloroacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 23422070
4-N-(8-chloro-2-phenylquinazolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 121402587
1-N,1-N-diethyl-4-N-(2-phenylquinazolin-4-yl)pentane-1,4-diamine;phosphoric acid
CID 131880768
N-[4-[7-chloro-4-[3-(diethylamino)propylamino]quinazolin-2-yl]phenyl]-3-methylbutanamide
CID 68861635
4-N-[6-chloro-2-[(E)-2-phenylethenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
CID 14668185
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrochloride
CID 76971372
(4S)-4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;dihydrate;dihydrochloride
CID 6604502
butane;4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 176972900
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;methanesulfonic acid
CID 23616783
4-N-(6-chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine azide
CID 21151312

Frequently Asked Questions

What is the IUPAC name of 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine (CID 68861292) is 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1nc(-c2ccc(-c3ccc(Cl)cc3)cc2)nc2cc(Cl)ccc12.
What is the InChIKey of 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is ZAXITKHZKJMEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32Cl2N4/c1-4-35(5-2)18-6-7-20(3)32-29-26-17-16-25(31)19-27(26)33-28(34-29)23-10-8-21(9-11-23)22-12-14-24(30)15-13-22/h8-17,19-20H,4-7,18H2,1-3H3,(H,32,33,34).
What are the key properties of 4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[7-chloro-2-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 507.51 g/mol, XLogP of 8.19, 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-[4-(4-chlorophenyl)phenyl]quinazolin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 68861292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).