N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C30H27ClN4 — CID 118736492

IUPACN-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H27ClN4/c1-35(2)18-17-32-30-27-20-25(24-11-10-22-5-3-4-6-23(22)19-24)12-15-28(27)33-29(34-30)16-9-21-7-13-26(31)14-8-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,33,34)/b16-9+
InChIKeyGLMHSVKTJLJZLI-CXUHLZMHSA-N
MW479.03 g/mol
LogP7.25
Rot. Bonds7

About N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 118736492) has the molecular formula C30H27ClN4 and a molecular weight of 479.03 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID118736492
Molecular FormulaC30H27ClN4
Molecular Weight479.03 g/mol
Exact Mass478.19
IUPAC NameN-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C30H27ClN4/c1-35(2)18-17-32-30-27-20-25(24-11-10-22-5-3-4-6-23(22)19-24)12-15-28(27)33-29(34-30)16-9-21-7-13-26(31)14-8-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,33,34)/b16-9+
InChIKeyGLMHSVKTJLJZLI-CXUHLZMHSA-N
XLogP7.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.03
LogP ≤ 57.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 118736492) is N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is GLMHSVKTJLJZLI-CXUHLZMHSA-N. The full InChI is InChI=1S/C30H27ClN4/c1-35(2)18-17-32-30-27-20-25(24-11-10-22-5-3-4-6-23(22)19-24)12-15-28(27)33-29(34-30)16-9-21-7-13-26(31)14-8-21/h3-16,19-20H,17-18H2,1-2H3,(H,32,33,34)/b16-9+.
What are the key properties of N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 479.03 g/mol, XLogP of 7.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-naphthalen-2-ylquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 118736492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).