ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate

C18H22N2O3S — CID 42805883

IUPACethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
SMILESCCCC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)OCC
InChIInChI=1S/C18H22N2O3S/c1-3-7-15(17(22)23-4-2)24-18-19-14-9-6-5-8-13(14)16(21)20(18)12-10-11-12/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyLSPUFDSGXRLFLV-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.56
Rot. Bonds7

About ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate

ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate (PubChem CID 42805883) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate.

Molecular Properties

Compound Nameethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
PubChem CID42805883
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nameethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate
SMILESCCCC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)OCC
InChIInChI=1S/C18H22N2O3S/c1-3-7-15(17(22)23-4-2)24-18-19-14-9-6-5-8-13(14)16(21)20(18)12-10-11-12/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3
InChIKeyLSPUFDSGXRLFLV-UHFFFAOYSA-N
XLogP3.56
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylhexanamide
CID 52522994
ethyl 4-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylbutanoate
CID 42805882
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethylpropanamide
CID 8981728
(2S)-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-ethyl-N-phenylpropanamide
CID 8980797
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8981389
3-cyclopropyl-2-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8980460
ethyl (2R)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate
CID 93126162
(2R)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 8981264
ethyl (2S)-2-[3-(3-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanylpentanoate
CID 93126161
2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-dimethyl-2-phenylacetamide
CID 51217052
3-cyclopropyl-2-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 46611264
3-cyclopropyl-2-[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 8981095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate?
The IUPAC name of ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate (CID 42805883) is ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate.
What is the SMILES notation for ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate?
The canonical SMILES for ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate is CCCC(Sc1nc2ccccc2c(=O)n1C1CC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate?
The InChIKey is LSPUFDSGXRLFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-3-7-15(17(22)23-4-2)24-18-19-14-9-6-5-8-13(14)16(21)20(18)12-10-11-12/h5-6,8-9,12,15H,3-4,7,10-11H2,1-2H3.
What are the key properties of ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate?
ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate has a molecular weight of 346.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpentanoate is sourced from PubChem (CID 42805883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).