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

C15H17N3O2S — CID 154752589

IUPACmethyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2S/c1-9(14(19)20-2)21-15-17-12-6-4-3-5-11(12)13(18-15)16-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyFJIDIQSJCFYYJV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.86
Rot. Bonds5

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

methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate (PubChem CID 154752589) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate.

Molecular Properties

Compound Namemethyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
PubChem CID154752589
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Namemethyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate
SMILESCOC(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C15H17N3O2S/c1-9(14(19)20-2)21-15-17-12-6-4-3-5-11(12)13(18-15)16-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18)
InChIKeyFJIDIQSJCFYYJV-UHFFFAOYSA-N
XLogP2.86
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)propanamide
CID 41138316
methyl 2-[4-(ethylamino)quinazolin-2-yl]sulfanylpropanoate
CID 51237217
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-(1,1-dioxothiolan-3-yl)-N-ethylpropanamide
CID 18139838
N-(2-chloro-5-nitrophenyl)-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanamide
CID 24528488
(3R)-3-[4-(methylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 31938126
N-cyclopropyl-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 24520045
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
4-[(4-methylcyclohexyl)amino]quinazoline-2-carboxylic acid
CID 62406033
N-cyclopropyl-2-hydrazinylquinazolin-4-amine
CID 80932837
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
N-[(5-chlorothiophen-2-yl)methyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-methylacetamide
CID 24528477
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 41176307

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate?
The IUPAC name of methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate (CID 154752589) is methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate.
What is the SMILES notation for methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate?
The canonical SMILES for methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate is COC(=O)C(C)Sc1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate?
The InChIKey is FJIDIQSJCFYYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9(14(19)20-2)21-15-17-12-6-4-3-5-11(12)13(18-15)16-10-7-8-10/h3-6,9-10H,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate?
methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate has a molecular weight of 303.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylpropanoate is sourced from PubChem (CID 154752589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).