(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one

C14H17N3OS — CID 95574265

IUPAC(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
SMILESCCNc1nc(S[C@H](C)C(C)=O)nc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-4-15-13-11-7-5-6-8-12(11)16-14(17-13)19-10(3)9(2)18/h5-8,10H,4H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyMKQXMMJEOBCXFK-SNVBAGLBSA-N
MW275.38 g/mol
LogP3.13
Rot. Bonds5

About (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one

(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one (PubChem CID 95574265) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
PubChem CID95574265
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
SMILESCCNc1nc(S[C@H](C)C(C)=O)nc2ccccc12
InChIInChI=1S/C14H17N3OS/c1-4-15-13-11-7-5-6-8-12(11)16-14(17-13)19-10(3)9(2)18/h5-8,10H,4H2,1-3H3,(H,15,16,17)/t10-/m1/s1
InChIKeyMKQXMMJEOBCXFK-SNVBAGLBSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one with MolForge

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Related Compounds

methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
(3R)-3-[4-(methylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 31938126
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
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
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
1-(2,4-dihydroxyphenyl)-2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanone
CID 38991640
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
CID 154752589
2-[4-(ethylamino)quinazolin-2-yl]-1-phenylbutan-1-one
CID 142877613

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one?
The IUPAC name of (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one (CID 95574265) is (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one.
What is the SMILES notation for (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one?
The canonical SMILES for (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one is CCNc1nc(S[C@H](C)C(C)=O)nc2ccccc12.
What is the InChIKey of (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one?
The InChIKey is MKQXMMJEOBCXFK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-4-15-13-11-7-5-6-8-12(11)16-14(17-13)19-10(3)9(2)18/h5-8,10H,4H2,1-3H3,(H,15,16,17)/t10-/m1/s1.
What are the key properties of (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one?
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one has a molecular weight of 275.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one is sourced from PubChem (CID 95574265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).