N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide

C21H21F2N5 — CID 142126651

IUPACN-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide
SMILESC=C(N/C(C)=N/CCC)Nc1nc(-c2ccc(F)cc2F)nc2ccccc12
InChIInChI=1S/C21H21F2N5/c1-4-11-24-13(2)25-14(3)26-21-17-7-5-6-8-19(17)27-20(28-21)16-10-9-15(22)12-18(16)23/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H,26,27,28)
InChIKeyFKVNXIGWHOBSAP-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.88
Rot. Bonds6

About N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide

N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide (PubChem CID 142126651) has the molecular formula C21H21F2N5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide.

Molecular Properties

Compound NameN-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide
PubChem CID142126651
Molecular FormulaC21H21F2N5
Molecular Weight381.43 g/mol
Exact Mass381.18
IUPAC NameN-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide
SMILESC=C(N/C(C)=N/CCC)Nc1nc(-c2ccc(F)cc2F)nc2ccccc12
InChIInChI=1S/C21H21F2N5/c1-4-11-24-13(2)25-14(3)26-21-17-7-5-6-8-19(17)27-20(28-21)16-10-9-15(22)12-18(16)23/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H,26,27,28)
InChIKeyFKVNXIGWHOBSAP-UHFFFAOYSA-N
XLogP4.88
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[2-(2-chlorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]ethenyl]-N'-propylethanimidamide
CID 142127242
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786
2-(2,4-difluorophenyl)-N-(4-ethyl-5-methyl-4H-imidazol-2-yl)quinazolin-4-amine
CID 142126074
N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-(2-propan-2-ylphenyl)quinazolin-4-amine
CID 142127006
2-(2-chlorophenyl)-N-[1-(5-fluoro-2-hexan-3-ylphenyl)ethenyl]quinazolin-4-amine
CID 142127288
N-[1-[[8-methyl-2-[2-(trifluoromethoxy)phenyl]quinazolin-4-yl]amino]ethenyl]-N'-propylfuran-2-carboximidamide
CID 142127108
(3Z)-2-N-(2-naphthalen-1-ylquinazolin-4-yl)-4-N,4-N-dipropylpenta-1,3-diene-2,4-diamine
CID 142126644
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
2-(2-fluorophenyl)-N-(2-methoxy-5-methylphenyl)quinazolin-4-amine
CID 4523898
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(2-fluorophenyl)quinazolin-4-amine
CID 6062421
2-[(E)-N-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]-C-methylcarbonimidoyl]phenol
CID 135822013
2-(2-fluorophenyl)-N-(3-methoxyphenyl)quinazolin-4-amine
CID 757186

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The IUPAC name of N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide (CID 142126651) is N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide.
What is the SMILES notation for N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The canonical SMILES for N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide is C=C(N/C(C)=N/CCC)Nc1nc(-c2ccc(F)cc2F)nc2ccccc12.
What is the InChIKey of N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
The InChIKey is FKVNXIGWHOBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5/c1-4-11-24-13(2)25-14(3)26-21-17-7-5-6-8-19(17)27-20(28-21)16-10-9-15(22)12-18(16)23/h5-10,12H,3-4,11H2,1-2H3,(H,24,25)(H,26,27,28).
What are the key properties of N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide?
N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide has a molecular weight of 381.43 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2,4-difluorophenyl)quinazolin-4-yl]amino]ethenyl]-N'-propylethanimidamide is sourced from PubChem (CID 142126651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).