6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile

C15H9FN4O2 — CID 167237494

IUPAC6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile
SMILESN#Cc1c(N)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C15H9FN4O2/c16-11-2-3-12(18)10(6-17)14(11)22-8-1-4-13-9(5-8)15(21)20-7-19-13/h1-5,7H,18H2,(H,19,20,21)
InChIKeyUVEHZRCHEANEBZ-UHFFFAOYSA-N
MW296.26 g/mol
LogP2.31
Rot. Bonds2

About 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile

6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile (PubChem CID 167237494) has the molecular formula C15H9FN4O2 and a molecular weight of 296.26 g/mol. Its IUPAC name is 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile.

Molecular Properties

Compound Name6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile
PubChem CID167237494
Molecular FormulaC15H9FN4O2
Molecular Weight296.26 g/mol
Exact Mass296.07
IUPAC Name6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile
SMILESN#Cc1c(N)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C15H9FN4O2/c16-11-2-3-12(18)10(6-17)14(11)22-8-1-4-13-9(5-8)15(21)20-7-19-13/h1-5,7H,18H2,(H,19,20,21)
InChIKeyUVEHZRCHEANEBZ-UHFFFAOYSA-N
XLogP2.31
TPSA104.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-cyano-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
CID 167237457
6-amino-3-fluoro-2-[3-(1-oxa-8-azaspiro[4.5]decan-3-yl)-4-oxoquinazolin-6-yl]oxybenzonitrile;ethane
CID 177011459
N-[2-amino-4-fluoro-3-[(4-oxo-3H-quinazolin-6-yl)oxy]phenyl]cyclopentanesulfonamide
CID 166169084
6-amino-3,4-difluoro-2-[3-(2-fluoroethyl)-4-oxoquinazolin-6-yl]oxybenzonitrile
CID 176812814
6-(5-azaspiro[2.4]heptan-5-ylsulfanylamino)-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile;ethane;3-methyl-1-oxa-8-azaspiro[4.5]decane;molecular hydrogen
CID 177012096
2-(3-acetyl-4-aminophenoxy)-3-fluoro-6-methylbenzonitrile
CID 166168415
6-amino-3,4-difluoro-2-imidazo[1,2-c]quinazolin-9-yloxybenzonitrile
CID 176812807
3,6-difluoro-2-[4-oxo-3-[(3R)-8-oxo-1-oxaspiro[4.5]decan-3-yl]quinazolin-6-yl]oxybenzonitrile
CID 166168336
6-[[(2R)-pyrrolidin-2-yl]methoxy]-3H-quinazolin-4-one
CID 141117646
4-(3,4-difluorophenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 103241335
tert-butyl N-[3-[6-(2-cyano-3,6-difluorophenoxy)-4-oxoquinazolin-3-yl]propyl]carbamate
CID 164529525
5-amino-4-(3-fluoro-4-methylphenoxy)-1H-pyrimidin-6-one
CID 107171900

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile?
The IUPAC name of 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile (CID 167237494) is 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile.
What is the SMILES notation for 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile?
The canonical SMILES for 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile is N#Cc1c(N)ccc(F)c1Oc1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile?
The InChIKey is UVEHZRCHEANEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4O2/c16-11-2-3-12(18)10(6-17)14(11)22-8-1-4-13-9(5-8)15(21)20-7-19-13/h1-5,7H,18H2,(H,19,20,21).
What are the key properties of 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile?
6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile has a molecular weight of 296.26 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-fluoro-2-[(4-oxo-3H-quinazolin-6-yl)oxy]benzonitrile is sourced from PubChem (CID 167237494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).