ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate

C17H21FN2O5 — CID 177351770

IUPACethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)(C)F)n1c(=O)[nH]c2cccc(OC)c2c1=O
InChIInChI=1S/C17H21FN2O5/c1-5-25-15(22)11(9-17(2,3)18)20-14(21)13-10(19-16(20)23)7-6-8-12(13)24-4/h6-8,11H,5,9H2,1-4H3,(H,19,23)
InChIKeyFHWDMFFHQZBFDG-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.94
Rot. Bonds6

About ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate

ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate (PubChem CID 177351770) has the molecular formula C17H21FN2O5 and a molecular weight of 352.36 g/mol. Its IUPAC name is ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate
PubChem CID177351770
Molecular FormulaC17H21FN2O5
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Nameethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate
SMILESCCOC(=O)C(CC(C)(C)F)n1c(=O)[nH]c2cccc(OC)c2c1=O
InChIInChI=1S/C17H21FN2O5/c1-5-25-15(22)11(9-17(2,3)18)20-14(21)13-10(19-16(20)23)7-6-8-12(13)24-4/h6-8,11H,5,9H2,1-4H3,(H,19,23)
InChIKeyFHWDMFFHQZBFDG-UHFFFAOYSA-N
XLogP1.94
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate with MolForge

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Related Compounds

5-methoxy-3-propan-2-yl-1H-quinazoline-2,4-dione
CID 117261068
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
(2S)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-4-fluoro-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanamide
CID 177351428
(2R)-N-[(1S)-1-(3,5-difluoro-2-pyridinyl)ethyl]-4-fluoro-2-(5-hydroxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanamide
CID 177351749
methyl 2-(2,4-dioxo-1H-quinazolin-3-yl)pentanoate
CID 68726339
ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
(2R)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-3-pyridin-3-ylpropanamide
CID 177351762
5-methoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261150
4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
CID 175836718
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
ethyl 2-amino-2-(2,6-dimethoxyphenyl)acetate;hydrochloride
CID 121002575
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate?
The IUPAC name of ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate (CID 177351770) is ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate.
What is the SMILES notation for ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate?
The canonical SMILES for ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate is CCOC(=O)C(CC(C)(C)F)n1c(=O)[nH]c2cccc(OC)c2c1=O.
What is the InChIKey of ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate?
The InChIKey is FHWDMFFHQZBFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5/c1-5-25-15(22)11(9-17(2,3)18)20-14(21)13-10(19-16(20)23)7-6-8-12(13)24-4/h6-8,11H,5,9H2,1-4H3,(H,19,23).
What are the key properties of ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate?
ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate has a molecular weight of 352.36 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-2-(5-methoxy-2,4-dioxo-1H-quinazolin-3-yl)-4-methylpentanoate is sourced from PubChem (CID 177351770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).