3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one

C23H19FN6O2 — CID 144824495

IUPAC3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one
SMILESC#Cc1cccc2nc(CC)n(-c3ccc(F)cc3)c(=O)c12.NC(=O)c1nccnc1N
InChIInChI=1S/C18H13FN2O.C5H6N4O/c1-3-12-6-5-7-15-17(12)18(22)21(16(4-2)20-15)14-10-8-13(19)9-11-14;6-4-3(5(7)10)8-1-2-9-4/h1,5-11H,4H2,2H3;1-2H,(H2,6,9)(H2,7,10)
InChIKeyNHFFVORBRXETTM-UHFFFAOYSA-N
MW430.44 g/mol
LogP2.23
Rot. Bonds3

About 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one

3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one (PubChem CID 144824495) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one
PubChem CID144824495
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC Name3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one
SMILESC#Cc1cccc2nc(CC)n(-c3ccc(F)cc3)c(=O)c12.NC(=O)c1nccnc1N
InChIInChI=1S/C18H13FN2O.C5H6N4O/c1-3-12-6-5-7-15-17(12)18(22)21(16(4-2)20-15)14-10-8-13(19)9-11-14;6-4-3(5(7)10)8-1-2-9-4/h1,5-11H,4H2,2H3;1-2H,(H2,6,9)(H2,7,10)
InChIKeyNHFFVORBRXETTM-UHFFFAOYSA-N
XLogP2.23
TPSA129.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-aminopyrazine-2-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824068
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;3-(3,4-difluorophenyl)-2-ethyl-5-ethynylquinazolin-4-one
CID 144825003
3-aminopyrazine-2-carboxamide;N-[4-(2-ethyl-4-oxo-3-phenylquinazolin-5-yl)but-3-ynyl]prop-2-enamide
CID 144926830
2-ethyl-4-oxo-3-phenylquinazoline-5-carbonitrile
CID 123768528
3-amino-N-[1-[8-ethynyl-2-(4-fluorophenyl)-1-oxoisoquinolin-3-yl]ethyl]pyrazin-4-ium-2-carboxamide
CID 149344247
2-aminoimidazo[1,2-b]pyridazine-3-carboxamide;2-ethyl-3-phenyl-5-(2-pyridin-4-ylethynyl)quinazolin-4-one
CID 144926817
5-but-1-ynyl-2-ethyl-3-phenylquinazolin-4-one
CID 144824418
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-(6-oxo-1H-pyridin-3-yl)ethynyl]-3-phenylquinazolin-4-one
CID 144926736
3-aminopyrazine-2-carboxamide;N-[3-(3-ethyl-1-oxo-2-phenylisoquinolin-8-yl)prop-2-ynyl]methanesulfonamide
CID 144926665
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;5-chloro-2-ethyl-3-phenylquinazolin-4-one
CID 144824115
2-aminopyrazolo[1,5-a]pyrimidine-3-carboxamide;2-ethyl-5-[2-[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethynyl]-3-phenylquinazolin-4-one
CID 144926925
2-ethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]-3-phenylquinazolin-4-one;1,6-naphthyridine-8-carboxamide
CID 144824937

Frequently Asked Questions

What is the IUPAC name of 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one (CID 144824495) is 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one is C#Cc1cccc2nc(CC)n(-c3ccc(F)cc3)c(=O)c12.NC(=O)c1nccnc1N.
What is the InChIKey of 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is NHFFVORBRXETTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O.C5H6N4O/c1-3-12-6-5-7-15-17(12)18(22)21(16(4-2)20-15)14-10-8-13(19)9-11-14;6-4-3(5(7)10)8-1-2-9-4/h1,5-11H,4H2,2H3;1-2H,(H2,6,9)(H2,7,10).
What are the key properties of 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one?
3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 430.44 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopyrazine-2-carboxamide;2-ethyl-5-ethynyl-3-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 144824495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).