oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate

C17H20N2O4 — CID 137300052

IUPACoxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CCCO1
InChIInChI=1S/C17H20N2O4/c20-16(23-11-12-5-4-10-22-12)9-3-8-15-18-14-7-2-1-6-13(14)17(21)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19,21)
InChIKeyZSWVBZOBYFQMCZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.97
Rot. Bonds6

About oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate

oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate (PubChem CID 137300052) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
PubChem CID137300052
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameoxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CCCO1
InChIInChI=1S/C17H20N2O4/c20-16(23-11-12-5-4-10-22-12)9-3-8-15-18-14-7-2-1-6-13(14)17(21)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19,21)
InChIKeyZSWVBZOBYFQMCZ-UHFFFAOYSA-N
XLogP1.97
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-propan-2-yloxyethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 137300073
[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 136803505
(2-anilino-2-oxoethyl) 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782994
[2-(4-methoxyphenyl)-2-oxoethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782954
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,2-diphenylacetamide
CID 136772433
N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135636952
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-(4-oxo-3H-quinazolin-2-yl)butanoate
CID 135782885
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
N-[[(2R)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-phenoxyacetamide
CID 135830344
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
3,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-2-carboxamide
CID 135920659
oxan-2-ylmethyl 4-phenoxybutanoate
CID 78788814

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The IUPAC name of oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate (CID 137300052) is oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate.
What is the SMILES notation for oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The canonical SMILES for oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate is O=C(CCCc1nc2ccccc2c(=O)[nH]1)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
The InChIKey is ZSWVBZOBYFQMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-16(23-11-12-5-4-10-22-12)9-3-8-15-18-14-7-2-1-6-13(14)17(21)19-15/h1-2,6-7,12H,3-5,8-11H2,(H,18,19,21).
What are the key properties of oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate?
oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate has a molecular weight of 316.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 4-(4-oxo-3H-quinazolin-2-yl)butanoate is sourced from PubChem (CID 137300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).