7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one

C19H20FN3O3 — CID 51259521

IUPAC7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOCCn1c(C)cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1C
InChIInChI=1S/C19H20FN3O3/c1-12-8-16(13(2)23(12)6-7-26-3)18(24)10-22-11-21-17-9-14(20)4-5-15(17)19(22)25/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyPHBJSARRLBZSCN-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.48
Rot. Bonds6

About 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one

7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 51259521) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID51259521
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one
SMILESCOCCn1c(C)cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1C
InChIInChI=1S/C19H20FN3O3/c1-12-8-16(13(2)23(12)6-7-26-3)18(24)10-22-11-21-17-9-14(20)4-5-15(17)19(22)25/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyPHBJSARRLBZSCN-UHFFFAOYSA-N
XLogP2.48
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one (CID 51259521) is 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is COCCn1c(C)cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1C.
What is the InChIKey of 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is PHBJSARRLBZSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-8-16(13(2)23(12)6-7-26-3)18(24)10-22-11-21-17-9-14(20)4-5-15(17)19(22)25/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one?
7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 357.39 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 51259521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).