N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide

C17H12FN3O — CID 162527688

IUPACN-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(F)cc(-c2ccc3cncnc3c2)c1
InChIInChI=1S/C17H12FN3O/c1-2-17(22)21-15-6-13(5-14(18)8-15)11-3-4-12-9-19-10-20-16(12)7-11/h2-10H,1H2,(H,21,22)
InChIKeyVYCFCQLBOOFJJL-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.56
Rot. Bonds3

About N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide

N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide (PubChem CID 162527688) has the molecular formula C17H12FN3O and a molecular weight of 293.30 g/mol. Its IUPAC name is N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
PubChem CID162527688
Molecular FormulaC17H12FN3O
Molecular Weight293.30 g/mol
Exact Mass293.10
IUPAC NameN-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(F)cc(-c2ccc3cncnc3c2)c1
InChIInChI=1S/C17H12FN3O/c1-2-17(22)21-15-6-13(5-14(18)8-15)11-3-4-12-9-19-10-20-16(12)7-11/h2-10H,1H2,(H,21,22)
InChIKeyVYCFCQLBOOFJJL-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-(3-fluorophenyl)quinazoline
CID 141309357
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264823
4-[8-[3-(prop-2-enoylamino)phenyl]quinazolin-6-yl]benzoic acid
CID 146637171
N-(4-pyrimidin-5-ylphenyl)prop-2-enamide
CID 166406957
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-[6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264800
7-phenylquinazoline
CID 142441841
N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
CID 134276293
N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265846
N-[3-(4-aminoquinolin-7-yl)-5-chlorophenyl]prop-2-enamide
CID 162526714

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide?
The IUPAC name of N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide (CID 162527688) is N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide?
The canonical SMILES for N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide is C=CC(=O)Nc1cc(F)cc(-c2ccc3cncnc3c2)c1.
What is the InChIKey of N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide?
The InChIKey is VYCFCQLBOOFJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O/c1-2-17(22)21-15-6-13(5-14(18)8-15)11-3-4-12-9-19-10-20-16(12)7-11/h2-10H,1H2,(H,21,22).
What are the key properties of N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide?
N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide has a molecular weight of 293.30 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide is sourced from PubChem (CID 162527688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).