N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide

C19H18F2N4OS — CID 51237233

IUPACN-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C19H18F2N4OS/c1-3-22-17-12-7-4-5-10-15(12)23-19(25-17)27-11(2)18(26)24-16-13(20)8-6-9-14(16)21/h4-11H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyIYNYLEZNELKOMX-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.46
Rot. Bonds6

About N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide

N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide (PubChem CID 51237233) has the molecular formula C19H18F2N4OS and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
PubChem CID51237233
Molecular FormulaC19H18F2N4OS
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC NameN-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
SMILESCCNc1nc(SC(C)C(=O)Nc2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C19H18F2N4OS/c1-3-22-17-12-7-4-5-10-15(12)23-19(25-17)27-11(2)18(26)24-16-13(20)8-6-9-14(16)21/h4-11H,3H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyIYNYLEZNELKOMX-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 46640249
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
N-(2,6-difluorophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18091213
(2R)-N-(2,6-difluorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropanamide
CID 8735122
N-(2,6-difluorophenyl)-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 55416975
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
N-(2,6-difluorophenyl)-2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanamide
CID 51236469
(3R)-3-[4-(methylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 31938126
N-(2,6-difluorophenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 84826663

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide (CID 51237233) is N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide is CCNc1nc(SC(C)C(=O)Nc2c(F)cccc2F)nc2ccccc12.
What is the InChIKey of N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide?
The InChIKey is IYNYLEZNELKOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4OS/c1-3-22-17-12-7-4-5-10-15(12)23-19(25-17)27-11(2)18(26)24-16-13(20)8-6-9-14(16)21/h4-11H,3H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide?
N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide has a molecular weight of 388.44 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide is sourced from PubChem (CID 51237233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).