N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide

C23H15F3N4O — CID 134265846

IUPACN-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(-c3cncc(C(F)(F)F)c3)cc3cncnc23)c1
InChIInChI=1S/C23H15F3N4O/c1-2-21(31)30-19-5-3-4-14(8-19)20-9-15(6-17-11-28-13-29-22(17)20)16-7-18(12-27-10-16)23(24,25)26/h2-13H,1H2,(H,30,31)
InChIKeyOUFMJTFJCZKWLA-UHFFFAOYSA-N
MW420.39 g/mol
LogP5.50
Rot. Bonds4

About N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide

N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide (PubChem CID 134265846) has the molecular formula C23H15F3N4O and a molecular weight of 420.39 g/mol. Its IUPAC name is N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
PubChem CID134265846
Molecular FormulaC23H15F3N4O
Molecular Weight420.39 g/mol
Exact Mass420.12
IUPAC NameN-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2cc(-c3cncc(C(F)(F)F)c3)cc3cncnc23)c1
InChIInChI=1S/C23H15F3N4O/c1-2-21(31)30-19-5-3-4-14(8-19)20-9-15(6-17-11-28-13-29-22(17)20)16-7-18(12-27-10-16)23(24,25)26/h2-13H,1H2,(H,30,31)
InChIKeyOUFMJTFJCZKWLA-UHFFFAOYSA-N
XLogP5.50
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.39
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[8-[3-(prop-2-enoylamino)phenyl]quinazolin-6-yl]benzoic acid
CID 146637171
N-[3-[6-[6-(3-fluorophenoxy)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264823
N-[3-[6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134264800
methane;N-[3-[6-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 142291035
N-[3-[6-(3-fluorophenyl)quinazolin-8-yl]phenyl]-3-iminoprop-2-enamide
CID 134276293
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
N-[3-[2-amino-6-(2-isocyanophenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 140850723
4-[8-(3-acetamidophenyl)quinazolin-6-yl]-N-(3-fluoro-2-pyridinyl)benzamide
CID 167082826
N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 122433455
N-[3-[2-amino-6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265044
N-[3-[5-amino-2-[4-[[4-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]quinazolin-8-yl]phenyl]prop-2-enamide
CID 134328291
N-[3-[2-amino-6-(2-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265414

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide (CID 134265846) is N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2cc(-c3cncc(C(F)(F)F)c3)cc3cncnc23)c1.
What is the InChIKey of N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?
The InChIKey is OUFMJTFJCZKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O/c1-2-21(31)30-19-5-3-4-14(8-19)20-9-15(6-17-11-28-13-29-22(17)20)16-7-18(12-27-10-16)23(24,25)26/h2-13H,1H2,(H,30,31).
What are the key properties of N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide?
N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide has a molecular weight of 420.39 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-8-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 134265846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).