methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate

C14H17N3O2S — CID 51237217

IUPACmethyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
SMILESCCNc1nc(SC(C)C(=O)OC)nc2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-4-15-12-10-7-5-6-8-11(10)16-14(17-12)20-9(2)13(18)19-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyLDKUTEBBJBZKAS-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.72
Rot. Bonds5

About methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate

methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate (PubChem CID 51237217) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
PubChem CID51237217
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Namemethyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
SMILESCCNc1nc(SC(C)C(=O)OC)nc2ccccc12
InChIInChI=1S/C14H17N3O2S/c1-4-15-12-10-7-5-6-8-11(10)16-14(17-12)20-9(2)13(18)19-3/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyLDKUTEBBJBZKAS-UHFFFAOYSA-N
XLogP2.72
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
CID 154752589
N-(2,6-difluorophenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanamide
CID 51237233
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)propanamide
CID 46640249
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
(3R)-3-[4-(methylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 31938126
N-ethyl-2-[(1R)-1-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]ethyl]sulfanylquinazolin-4-amine
CID 99078230
N-ethyl-2-(2,2,2-trifluoroethylsulfanyl)quinazolin-4-amine
CID 154837193
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate?
The IUPAC name of methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate (CID 51237217) is methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate is CCNc1nc(SC(C)C(=O)OC)nc2ccccc12.
What is the InChIKey of methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate?
The InChIKey is LDKUTEBBJBZKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-4-15-12-10-7-5-6-8-11(10)16-14(17-12)20-9(2)13(18)19-3/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate?
methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate has a molecular weight of 291.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate is sourced from PubChem (CID 51237217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).