2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

C20H21FN4OS — CID 40766769

IUPAC2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCCNc1nc(SCC(=O)N(C)Cc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C20H21FN4OS/c1-3-22-19-16-9-4-5-10-17(16)23-20(24-19)27-13-18(26)25(2)12-14-7-6-8-15(21)11-14/h4-11H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyNCTLOPPELWHOKH-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide

2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 40766769) has the molecular formula C20H21FN4OS and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
PubChem CID40766769
Molecular FormulaC20H21FN4OS
Molecular Weight384.48 g/mol
Exact Mass384.14
IUPAC Name2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
SMILESCCNc1nc(SCC(=O)N(C)Cc2cccc(F)c2)nc2ccccc12
InChIInChI=1S/C20H21FN4OS/c1-3-22-19-16-9-4-5-10-17(16)23-20(24-19)27-13-18(26)25(2)12-14-7-6-8-15(21)11-14/h4-11H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyNCTLOPPELWHOKH-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 24520048
N-[(3-fluorophenyl)methyl]-N-methyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9360834
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 46640249
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849
2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 3289360
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46484603
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 27098324
3-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-N-methylbenzamide
CID 18275768
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 8521331
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
2-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 7940413

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide (CID 40766769) is 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is CCNc1nc(SCC(=O)N(C)Cc2cccc(F)c2)nc2ccccc12.
What is the InChIKey of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is NCTLOPPELWHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4OS/c1-3-22-19-16-9-4-5-10-17(16)23-20(24-19)27-13-18(26)25(2)12-14-7-6-8-15(21)11-14/h4-11H,3,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide?
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 384.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 40766769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).