7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione

C17H21FN2O4 — CID 167818036

IUPAC7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCCC3CCCCO3)c(=O)[nH]c2cc1F
InChIInChI=1S/C17H21FN2O4/c1-23-15-9-12-14(10-13(15)18)19-17(22)20(16(12)21)7-4-6-11-5-2-3-8-24-11/h9-11H,2-8H2,1H3,(H,19,22)
InChIKeyWGOJXMILSVJQNB-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.19
Rot. Bonds5

About 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione

7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione (PubChem CID 167818036) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
PubChem CID167818036
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(CCCC3CCCCO3)c(=O)[nH]c2cc1F
InChIInChI=1S/C17H21FN2O4/c1-23-15-9-12-14(10-13(15)18)19-17(22)20(16(12)21)7-4-6-11-5-2-3-8-24-11/h9-11H,2-8H2,1H3,(H,19,22)
InChIKeyWGOJXMILSVJQNB-UHFFFAOYSA-N
XLogP2.19
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione (CID 167818036) is 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione is COc1cc2c(=O)n(CCCC3CCCCO3)c(=O)[nH]c2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione?
The InChIKey is WGOJXMILSVJQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-23-15-9-12-14(10-13(15)18)19-17(22)20(16(12)21)7-4-6-11-5-2-3-8-24-11/h9-11H,2-8H2,1H3,(H,19,22).
What are the key properties of 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione?
7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione has a molecular weight of 336.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-3-[3-(oxan-2-yl)propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 167818036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).