N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine

C20H23FN4 — CID 142128548

IUPACN-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(C)Nc2ccccc21)c1cc(F)ccc1NCCC
InChIInChI=1S/C20H23FN4/c1-4-11-22-18-10-9-15(21)12-17(18)13(2)23-20-16-7-5-6-8-19(16)24-14(3)25-20/h5-10,12,14,22,24H,2,4,11H2,1,3H3,(H,23,25)
InChIKeyNGAGSUJULMMQRP-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.43
Rot. Bonds5

About N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine

N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine (PubChem CID 142128548) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine
PubChem CID142128548
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC NameN-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine
SMILESC=C(NC1=NC(C)Nc2ccccc21)c1cc(F)ccc1NCCC
InChIInChI=1S/C20H23FN4/c1-4-11-22-18-10-9-15(21)12-17(18)13(2)23-20-16-7-5-6-8-19(16)24-14(3)25-20/h5-10,12,14,22,24H,2,4,11H2,1,3H3,(H,23,25)
InChIKeyNGAGSUJULMMQRP-UHFFFAOYSA-N
XLogP4.43
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine
CID 142125816
N-[1-[3,5-difluoro-2-(propylamino)phenyl]ethenyl]-2-(2-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-amine
CID 142126476
2-[2-(methoxymethyl)phenyl]-N-[1-[2-(propylamino)phenyl]ethenyl]-1,2-dihydroquinazolin-4-amine
CID 142126017
2-(2-ethynylphenyl)-N-[1-[5-fluoro-2-(propylamino)phenyl]ethyl]-1,2-dihydroquinazolin-4-amine
CID 142127175
acetylene;benzene;2-cyclopropyl-N-[1-(2-dimethylboranyl-5-fluorophenyl)ethenyl]-1,2-dihydroquinazolin-4-amine
CID 142160144
N-[1-(2-methylphenyl)ethenyl]-2-phenyl-1,2-dihydroquinazolin-4-amine;pentane
CID 142125552
5-(2-chlorophenyl)-3-cyclohexyl-1-methylpyrazole;4-fluoro-2-[1-(methylamino)ethenyl]-N-propylaniline
CID 142125887
3-azidooxy-N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-6-[2-(trifluoromethyl)phenyl]pyridin-4-amine
CID 142127278
N-[2-(2-ethenylbenzenecarboximidoyl)-1,2-dihydroquinazolin-4-yl]-N'-ethyl-5-fluoro-2-methylbenzenecarboximidamide
CID 142127649
N-[1-(5-fluoro-2-methylphenyl)ethenyl]-2-[2-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydropyrido[3,4-d]pyrimidin-4-amine;pentane
CID 142126193
N-(2-chloro-4-fluorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237149
N-(4-fluorophenyl)-5-methyl-2-(propylamino)benzamide
CID 62510349

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine?
The IUPAC name of N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine (CID 142128548) is N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine is C=C(NC1=NC(C)Nc2ccccc21)c1cc(F)ccc1NCCC.
What is the InChIKey of N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine?
The InChIKey is NGAGSUJULMMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-4-11-22-18-10-9-15(21)12-17(18)13(2)23-20-16-7-5-6-8-19(16)24-14(3)25-20/h5-10,12,14,22,24H,2,4,11H2,1,3H3,(H,23,25).
What are the key properties of N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine?
N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine has a molecular weight of 338.43 g/mol, XLogP of 4.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-fluoro-2-(propylamino)phenyl]ethenyl]-2-methyl-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 142128548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).