N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

C20H19ClF2N4 — CID 121453167

IUPACN-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+
InChIKeyLDCVUTBKQWPHPM-XBXARRHUSA-N
MW388.85 g/mol
LogP4.71
Rot. Bonds6

About N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 121453167) has the molecular formula C20H19ClF2N4 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID121453167
Molecular FormulaC20H19ClF2N4
Molecular Weight388.85 g/mol
Exact Mass388.13
IUPAC NameN-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12
InChIInChI=1S/C20H19ClF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+
InChIKeyLDCVUTBKQWPHPM-XBXARRHUSA-N
XLogP4.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-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

Related Compounds

N-[2-[(E)-2-(4-chlorophenyl)ethenyl]-6-iodoquinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 118736489
N-[6-chloro-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 162644806
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
(E)-but-2-enedioic acid;N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 90647151
N-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N'-ethyl-N'-methylbutane-1,4-diamine
CID 144787692
N-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453076
N-[7-chloro-2-[(E)-2-(4-chloro-3-methylphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121402520
N-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]benzo[g]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453141
N-[6-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 162644242
N'-[6-chloro-2-[(E)-2-(4-chlorophenyl)ethenyl]quinazolin-4-yl]hexane-1,6-diamine;dihydrochloride
CID 21100447
N'-[2-[2-(4-chlorophenyl)ethenyl]-6,7-difluoroquinazolin-4-yl]hexane-1,6-diamine
CID 69149885
N',N'-dimethyl-N-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N',N'-dimethyl-N-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine;N-methyl-N'-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N-methyl-N'-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine;N'-[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]ethane-1,2-diamine;N'-[2-[(E)-2-(4-methylphenyl)ethenyl]benzo[g]quinazolin-4-yl]ethane-1,2-diamine
CID 158417523

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 121453167) is N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12.
What is the InChIKey of N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LDCVUTBKQWPHPM-XBXARRHUSA-N. The full InChI is InChI=1S/C20H19ClF2N4/c1-27(2)10-9-24-20-15-12-14(21)5-7-18(15)25-19(26-20)8-4-13-3-6-16(22)17(23)11-13/h3-8,11-12H,9-10H2,1-2H3,(H,24,25,26)/b8-4+.
What are the key properties of N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 388.85 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 121453167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).