N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane

C30H43FN4 — CID 144787653

IUPACN-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane
SMILESCCC.CCCN(CCC)CCCNc1nc(/C=C/c2ccc(CC)cc2)nc2ccc(F)cc12
InChIInChI=1S/C27H35FN4.C3H8/c1-4-17-32(18-5-2)19-7-16-29-27-24-20-23(28)13-14-25(24)30-26(31-27)15-12-22-10-8-21(6-3)9-11-22;1-3-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,29,30,31);3H2,1-2H3/b15-12+;
InChIKeyLHCSRCGOZCLZSM-JRUHLWALSA-N
MW478.70 g/mol
LogP7.84
Rot. Bonds12

About N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane

N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane (PubChem CID 144787653) has the molecular formula C30H43FN4 and a molecular weight of 478.70 g/mol. Its IUPAC name is N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane.

Molecular Properties

Compound NameN-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane
PubChem CID144787653
Molecular FormulaC30H43FN4
Molecular Weight478.70 g/mol
Exact Mass478.35
IUPAC NameN-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane
SMILESCCC.CCCN(CCC)CCCNc1nc(/C=C/c2ccc(CC)cc2)nc2ccc(F)cc12
InChIInChI=1S/C27H35FN4.C3H8/c1-4-17-32(18-5-2)19-7-16-29-27-24-20-23(28)13-14-25(24)30-26(31-27)15-12-22-10-8-21(6-3)9-11-22;1-3-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,29,30,31);3H2,1-2H3/b15-12+;
InChIKeyLHCSRCGOZCLZSM-JRUHLWALSA-N
XLogP7.84
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.70
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane 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-[6-chloro-2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453076
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
N-[2-[(E)-2-(3,4-difluorophenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N'-ethyl-N'-methylbutane-1,4-diamine
CID 144787692
(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]benzo[g]quinazolin-4-yl]-N',N'-diethylpropane-1,3-diamine
CID 121453141
2-[2-hydroxyethyl-[3-[[2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]amino]propyl]amino]ethanol
CID 69458152
N-[6-chloro-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 121453058
N-[6-chloro-2-[(E)-2-(3,4-difluorophenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 121453167
N-butyl-6-fluoro-2-(trifluoromethyl)quinazolin-4-amine
CID 110431648
N-[6-chloro-2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 162644806
5-[[6-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]quinazolin-4-yl]amino]pentan-2-one
CID 159004026
N-(4-ethylphenyl)-N',N'-dipropylbutane-1,4-diamine
CID 143415719

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane?
The IUPAC name of N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane (CID 144787653) is N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane.
What is the SMILES notation for N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane?
The canonical SMILES for N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane is CCC.CCCN(CCC)CCCNc1nc(/C=C/c2ccc(CC)cc2)nc2ccc(F)cc12.
What is the InChIKey of N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane?
The InChIKey is LHCSRCGOZCLZSM-JRUHLWALSA-N. The full InChI is InChI=1S/C27H35FN4.C3H8/c1-4-17-32(18-5-2)19-7-16-29-27-24-20-23(28)13-14-25(24)30-26(31-27)15-12-22-10-8-21(6-3)9-11-22;1-3-2/h8-15,20H,4-7,16-19H2,1-3H3,(H,29,30,31);3H2,1-2H3/b15-12+;.
What are the key properties of N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane?
N-[2-[(E)-2-(4-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane has a molecular weight of 478.70 g/mol, XLogP of 7.84, 12 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-ethylphenyl)ethenyl]-6-fluoroquinazolin-4-yl]-N',N'-dipropylpropane-1,3-diamine;propane is sourced from PubChem (CID 144787653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).