4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide

C16H10FN3O4 — CID 135509711

IUPAC4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2c(=O)[nH]1)OCO3)c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O4/c17-9-3-1-8(2-4-9)14(21)19-16-18-11-6-13-12(23-7-24-13)5-10(11)15(22)20-16/h1-6H,7H2,(H2,18,19,20,21,22)
InChIKeyGMVSOZXOQYOLIB-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.04
Rot. Bonds2

About 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide

4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide (PubChem CID 135509711) has the molecular formula C16H10FN3O4 and a molecular weight of 327.27 g/mol. Its IUPAC name is 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
PubChem CID135509711
Molecular FormulaC16H10FN3O4
Molecular Weight327.27 g/mol
Exact Mass327.07
IUPAC Name4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2c(=O)[nH]1)OCO3)c1ccc(F)cc1
InChIInChI=1S/C16H10FN3O4/c17-9-3-1-8(2-4-9)14(21)19-16-18-11-6-13-12(23-7-24-13)5-10(11)15(22)20-16/h1-6H,7H2,(H2,18,19,20,21,22)
InChIKeyGMVSOZXOQYOLIB-UHFFFAOYSA-N
XLogP2.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(trifluoromethoxy)benzamide
CID 162594452
N-(6-methyl-4-oxo-3H-quinazolin-2-yl)-4-nitrobenzamide
CID 135445504
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[4-[[[2-(1,3-benzodioxol-5-yl)acetyl]amino]methyl]phenyl]-4-fluorobenzamide
CID 166205185
N-(1H-benzimidazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 3547940
4-fluoro-N-(7-oxo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-5-yl)benzamide
CID 3343673
N-[3-(1,3-benzodioxol-5-yl)-6-chloro-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4896449
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-1,3-benzodioxole-5-carboxamide
CID 3460045
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide
CID 72721823
6-(4-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazoline
CID 50901206
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-fluorobenzamide
CID 72720483
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 83092289

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide?
The IUPAC name of 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide (CID 135509711) is 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide is O=C(Nc1nc2cc3c(cc2c(=O)[nH]1)OCO3)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide?
The InChIKey is GMVSOZXOQYOLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O4/c17-9-3-1-8(2-4-9)14(21)19-16-18-11-6-13-12(23-7-24-13)5-10(11)15(22)20-16/h1-6H,7H2,(H2,18,19,20,21,22).
What are the key properties of 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide?
4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide has a molecular weight of 327.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(8-oxo-7H-[1,3]dioxolo[4,5-g]quinazolin-6-yl)benzamide is sourced from PubChem (CID 135509711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).